Difference between revisions of "Christian Holm"

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|researcherid=C-2134-2009
 
|researcherid=C-2134-2009
 
|category=holm
 
|category=holm
−
|topical=electrokinetics
+
|topical=active
 
|topical2=atomistics
 
|topical2=atomistics
 
|topical3=gel
 
|topical3=gel
 
|topical4=nanopore
 
|topical4=nanopore
 +
|topical6=hydrodynamics
 
|ordering=1
 
|ordering=1
 +
|board=0
 
}}
 
}}
  
 
==Research==
 
==Research==
  
−
My scientific interests are especially the study of complex charged soft matter by means of computer simulations, and the development of simple theoretical models to describe them. More precisely I am currently working on the solution properties and association behavior of flexible and semi-flexible polyelectrolytes in various solvents and under various salt concentrations and salt types. In addition I am interested in the effective pair interactions of charged colloidal particles and their phase behavior.  This includes simple DNA models, and DNA protein interactions, as well as developing coarse grained models for DNA-Histone complexes. I also began investigations of ferrofluids, where special attention is given to the structure of the solution and the magnetic response functions. Another interest is the applicability of mean-field models for the description of models with long range interactions, and possible improvements beyond the mean-field approach. This include local density functional methods based on the Poisson-Boltzmann functional, as well as strong coupling theories such as Wigner-crystal methods. In addition I am interested in the development of fast methods for the computation of long range interactions. These include pure Coulomb as well as dipolar interactions in various geometries (3D-1D), and under various boundary conditions.
+
My scientific interests are especially the study of complex charged and magnetic soft matter by means of computer simulations, and the development of simple theoretical models to describe them. More precisely I am currently working on the solution properties and association behavior of flexible and semi-flexible polyelectrolytes in various solvents and under various salt concentrations and salt types. In addition I am interested in the effective pair interactions of charged colloidal particles and their phase behavior.  This includes simple DNA models, and DNA protein interactions, as well as developing coarse grained models for DNA-Histone complexes. We also investigate in depth polyelectrolyte hydrogels  and magnetically interacting ferrogels, as well as pure ferrofluids, where special attention is given to the structure of the solution and the magnetic response functions. Another interest is the applicability of mean-field models for the description of models with long range interactions, and possible improvements beyond the mean-field approach. This include local density functional methods based on the Poisson-Boltzmann functional, as well as strong coupling theories such as Wigner-crystal methods. In addition I am interested in the development of fast methods for the computation of long range interactions. These include pure Coulomb as well as dipolar interactions in various geometries (3D-1D), and under various boundary conditions. And least but not last, we are interested in developing fast methods to deal with fluid-structure couplings using various coupling schemes of particles to a lattice-boltzmann fluid. These can be charged fluids, as well as fluids that undergo reactions at boundaries, such as needed for active Janus-Colloids,or for catalytic particles. We also are interested to apply machine learning algorithms for the development of force-fields with almost DFT precision.
 +
 
 +
Some of our research is part of collaborative research centres such as:
 +
 
 +
==Member of collaborative research centers==
 +
'''SFB 716''' [http://www.sfb716.uni-stuttgart.de sfb716.uni-stuttgart.de]
 +
 
 +
'''SFB 1313''' [http://www.sfb1313.uni-stuttgart.de/  sfb1313.uni-stuttgart.de]
 +
 
 +
'''SFB 1333''' [https://www.crc1333.de  crc1333.uni-stuttgart.de]
 +
 
 +
'''FOR 2811''' [https://www.for2811.uni-mainz.de      FOR2811.uni-mainz.de]
 +
 
 +
'''SimTech'''  [http://www.simtech.uni-stuttgart.de SimTech Cluster of Excellence]
 +
 
 +
'''NanodiagBW'''  [https://www.hahn-schickard.de/en/nanodiag  Clusters4Future NanodiaBW]
 +
 
 +
'''MultiXscale'''  [https://www.multixscale.eu  EuroHPC JU Centre of Excellence ]
 +
 
 +
'''CECAM'''  [https://www.cecam.org/cecam-de-smsm  CECAM Node Soft Matter and Statistical Mechanics (SMSM)]
  
 
==Publications==
 
==Publications==
−
<!--
+
ResearcherID: [https://www.webofscience.com/wos/author/record/1469764 C-2134-2009]
−
Publications only on Publications-Site!! the <pubentries> statement import the publications vrom Publications-Site
+
 
−
-->
+
ORCID: [https://orcid.org/0000-0003-2739-310X 0000-0003-2739-310X]
 +
 
 +
Google Scholar: [https://scholar.google.com/citations?hl=en&user=cLCHds0AAAAJ Christian Holm]
 +
 
 +
 
 +
===2022===
 +
<bibentry pdflink="yes">
 +
beyer22a
 +
tischler22a
 +
landsgesell22a
 +
landsgesell20b-err
 +
wang22a
 +
</bibentry>
 +
 
 +
===2021===
 +
 
 +
<bibentry pdflink="yes">
 +
zeman21a
 +
feuerstein21a
 +
riede21a
 +
szuttor21b
 +
rud21a
 +
stano21a
 +
weeber21a
 +
wagner21a
 +
tagliabue21a
 +
lee21a
 +
kreissl21a
 +
szuttor21a
 +
kuron21a
 +
tischler21a
 +
</bibentry>
 +
 
 +
===2020===
 +
<bibentry pdflink="yes">
 +
landsgesell20c
 +
zeman20b
 +
breitsprecher20a
 +
landsgesell20b
 +
tovey20a
 +
sivaraman20a
 +
sanchez20a
 +
zeman20a
 +
</bibentry>
  
−
<!--
+
===2019===
−
Falls das Badge hier hin soll auskommentierung und den Text hier wegmachen
+
<bibentry pdflink="yes">
−
<div style="float:right;"><researcherID>C-2134-2009</researcherID></div>
+
holm19a,
−
-->
+
smiljanic19a,
 +
roy19a,
 +
sanchez19a,
 +
landsgesell19c,
 +
arens19a,
 +
landsgesell19b,
 +
weeber19b,
 +
lee19a,
 +
weik19b,
 +
holm19a,
 +
weik19a,
 +
landsgesell19a,
 +
sean19a,
 +
weeber19a,
 +
kuron19a,
 +
kuron19b
 +
</bibentry>
 +
 
 +
===2018===
 +
<bibentry pdflink="yes">
 +
hartmann18a,
 +
breitsprecher18a,
 +
krishnamoorthy18c,
 +
michalowsky18a,
 +
krishnamoorthy18b,
 +
krishnamoorthy18a,
 +
kuron18a,
 +
smiatek18a,
 +
uhlig18a,
 +
weyman18a,
 +
weeber18a
 +
</bibentry>
 +
 
 +
===2017===
 +
<bibentry pdflink="yes">
 +
breitsprecher17a
 +
sean17a
 +
uhlig17a,
 +
roy17b,
 +
roy17a,
 +
szuttor17a,
 +
richter17a,
 +
bauer17a,
 +
landsgesell17b,
 +
landsgesell17a,
 +
chung17a,
 +
rau17a,
 +
rud17a,
 +
michalowsky17a,
 +
niu17a,
 +
brown17a,
 +
rempfer17a
 +
zeman17a
 +
</bibentry>
  
 
===2016===
 
===2016===
 
<bibentry pdflink="yes">
 
<bibentry pdflink="yes">
 
micciulla16a,
 
micciulla16a,
 +
dellesite16a,
 
lesch16a,
 
lesch16a,
 
huang16a,
 
huang16a,
 
kreissl16a,
 
kreissl16a,
 +
kosovan16a,
 +
lahnert16a,
 +
sanchez16a,
 
degraaf16a,
 
degraaf16a,
 
degraaf16b,
 
degraaf16b,
 
rempfer16a,
 
rempfer16a,
−
bauer16a,
+
rempfer16b,
 +
breitsprecher16a,
 
bordin16a,
 
bordin16a,
 
ilse16a,
 
ilse16a,
−
burt16a
+
burt16a,
 +
krishnamoorthy16a,
 +
weik16a,
 +
kuron16a
 
</bibentry>
 
</bibentry>
  
Line 78: Line 203:
 
hickey14a,
 
hickey14a,
 
kesselheim14a,
 
kesselheim14a,
 +
kesselheim13a,
 
krishnamoorthy14a,
 
krishnamoorthy14a,
 
micciulla14a,
 
micciulla14a,
Line 84: Line 210:
 
sega14a,
 
sega14a,
 
smiatek14a,
 
smiatek14a,
−
smiatek14d,
 
 
vagias14a
 
vagias14a
 
</bibentry>
 
</bibentry>
Line 93: Line 218:
 
arnold13b,
 
arnold13b,
 
arnold13c,
 
arnold13c,
−
cerda13a,
+
cerda13b,
 
chakrabarti13a,
 
chakrabarti13a,
−
dommert12b,
 
 
dommert13a,
 
dommert13a,
 
hickey13a,
 
hickey13a,
Line 112: Line 236:
 
===2012===
 
===2012===
 
<bibentry pdflink="yes">
 
<bibentry pdflink="yes">
−
kesselheim12a,
+
kesselheim12b,
 
bachthaler12a,
 
bachthaler12a,
 
dellesite12a,
 
dellesite12a,
 
cerda12a,
 
cerda12a,
 +
qiao12a,
 
weeber12a,
 
weeber12a,
 
dommert12a,
 
dommert12a,
Line 124: Line 249:
 
===2011===
 
===2011===
 
<bibentry pdflink="yes">
 
<bibentry pdflink="yes">
 +
arnold11a,
 
qiao11b,
 
qiao11b,
 
qiao11a,
 
qiao11a,
Line 142: Line 268:
 
cerda11a,
 
cerda11a,
 
ballenegger11a,
 
ballenegger11a,
−
luigi11a
 
 
</bibentry>
 
</bibentry>
  
Line 149: Line 274:
 
neelov10a,
 
neelov10a,
 
grass10a,
 
grass10a,
 +
han10a,
 
krekeler10a,
 
krekeler10a,
 +
minina10a,
 
tyagi10a,
 
tyagi10a,
 
schmidt10a,
 
schmidt10a,
Line 162: Line 289:
 
===2009===
 
===2009===
 
<bibentry pdflink="yes">
 
<bibentry pdflink="yes">
−
dommert09a,
+
holm09a,
 
suezen09a,
 
suezen09a,
−
pyanzina09a,
+
pyanzina09b,
 
prokopieva09a,
 
prokopieva09a,
 
smiatek09a,
 
smiatek09a,
 
claudio09a,
 
claudio09a,
−
pyanzina09a,
 
 
cerda09b,
 
cerda09b,
 
cerda09c,
 
cerda09c,
−
slater09a,
+
slater09b,
 
grass09a,
 
grass09a,
 
grass09b
 
grass09b
Line 177: Line 303:
  
 
===2008===
 
===2008===
−
<bibentry pdflink="yes">cerda08d,cerda08e,cerda08a,grass08a,qiao08a,kantorovich08a,lenz08a,ballenegger08a,tyagi08a</bibentry>
+
<bibentry pdflink="yes">holm08a,arnold08a,cerda08a,cerda08b,cerda08c,cerda08d,cerda08e,dommert08a,dunweg08a,grass08a,grass08c,qiao08a,kantorovich08a,krekeler08a,lenz08a,ballenegger08a,tyagi08a</bibentry>
  
 
===2007===
 
===2007===
−
<bibentry pdflink="yes">tyagi07a,ivanov07a,lobaskin07a,antypov07a, hess07a, sayar07a</bibentry>
+
<bibentry pdflink="yes">tyagi07a,ivanov07a,ivanov07b,lobaskin07a,antypov07a, hess07a, sayar07a</bibentry>
  
 
===2006===
 
===2006===
−
<bibentry pdflink="yes">antypov07b,holm06a, holm06b, antypov06a, arnold06a, hess06a, hess06b, limbach06a, mann06a, muehlbacher06a, muehlbacher06b, stukan06a</bibentry>
+
<bibentry pdflink="yes">holm06a, holm06b, antypov06a, antypov06b, arnold06a, hess06a, hess06b, limbach06a, mann06a, muehlbacher06a, muehlbacher06b, stukan06a</bibentry>
  
 
===2005===
 
===2005===
−
<bibentry pdflink="yes">antypov05a, arnold05a, arnold05b, holm05a, holm05b, huang05a, huang05b, limbach05a, mann05a</bibentry>
+
<bibentry pdflink="yes">antypov05a, arnold05a, arnold05b, holm05a, holm05b, holm05c, holm05d, huang05a, huang05b, limbach05a, mann05a</bibentry>
  
 
===2004===
 
===2004===
−
<bibentry pdflink="yes">barbosa04a, espresso03a, holm04a, holm04b, holm04c, huang04a, ivanov04a, limbach04a, limbach04b, lobaskin04b, mann04a, messina04a, naji04b</bibentry>
+
<bibentry pdflink="yes">barbosa04a, holm04a, holm04b, holm04c, huang04a, ivanov04a, limbach04a, limbach04b, lobaskin04b, mann04a, messina04b, naji04b</bibentry>
  
 
===2003===
 
===2003===
−
<bibentry pdflink="yes">deserno02b, holm03a, jimenez03a, limbach03a, messina03a, wang03a, wang03b, wang03c</bibentry>
+
<bibentry pdflink="yes">arnold04b, deserno03a, holm03a, jimenez03a, limbach03a, messina03a, wang03a, wang03b, wang03c</bibentry>
  
 
===2002===
 
===2002===
−
<bibentry pdflink="yes">arnold02a, arnold02b, arnold02c, arnold02d, dejoannis02a, deserno02a, holm02a, limbach02a, limbach02c, messina02a, messina02c, messina02d, messina02e, wang02a</bibentry>
+
<bibentry pdflink="yes">arnold02a, arnold02b, arnold02c, arnold02d, dejoannis02a, deserno02a, holm02a, limbach02a, limbach02c, limbach02d, messina02a, messina02c, messina02d, messina02e, wang02a</bibentry>
  
 
===2001===
 
===2001===
−
<bibentry pdflink="yes">deserno00c, deserno01a, deserno01b, deserno01c, holm01b, holm01c, limbach01a, messina01a, messina01b, wang01a</bibentry>
+
<bibentry pdflink="yes">deserno00c, deserno01a, deserno01b, deserno01c, holm01a, holm01b, holm01c, limbach01a, messina01a, messina01b, wang01a</bibentry>
  
 
===2000===
 
===2000===
−
<bibentry pdflink="yes">barbosa00a, deserno00a, deserno99b, messina00a, messina00b</bibentry>
+
<bibentry pdflink="yes">barbosa00a, deserno00a, deserno00e, messina00a, messina00b</bibentry>
  
 
===1999===
 
===1999===
Line 210: Line 336:
 
holm98a, holm98b, bittner98a, bittner98b, deserno98a, deserno98b,
 
holm98a, holm98b, bittner98a, bittner98b, deserno98a, deserno98b,
 
holm97a, holm97c, holm97d, holm97e,
 
holm97a, holm97c, holm97d, holm97e,
−
holm96a, holm96b, holm96c, holm95c,
+
holm96a, holm96b, holm96c, holm96d,
 
holm95a, holm95b,  
 
holm95a, holm95b,  
−
holm94a, holm94b, holm94c, holm93d,
+
holm94a, holm94b, holm94c, holm94d,
 
holm93a, holm93b, holm93c, adler93a,
 
holm93a, holm93b, holm93c, adler93a,
 
holm91a, holm91b,
 
holm91a, holm91b,
−
holm90a, holm90b, holm90c,  
+
holm90a, holm90b,
−
holm89a, finkelstein89a,
+
finkelstein89a,
−
holm88a, holm88b,
+
holm88a, holm88a-err, holm88b,
 
holm87a, finkelstein87a,
 
holm87a, finkelstein87a,
 
holm86a, eidson86a, finkelstein86a,
 
holm86a, eidson86a, finkelstein86a,
 
holm85a</bibentry>
 
holm85a</bibentry>

Latest revision as of 17:56, 12 May 2023

Christian Holm.jpg
Prof. Dr. Christian Holm
Director
Office:1.046
Phone:+49 711 685-63701
Fax:+49 711 685-53701
Email:holm _at_ icp.uni-stuttgart.de
Address:Prof. Dr. Christian Holm
Institute for Computational Physics
Universität Stuttgart
Allmandring 3
70569 Stuttgart
Germany

Research

My scientific interests are especially the study of complex charged and magnetic soft matter by means of computer simulations, and the development of simple theoretical models to describe them. More precisely I am currently working on the solution properties and association behavior of flexible and semi-flexible polyelectrolytes in various solvents and under various salt concentrations and salt types. In addition I am interested in the effective pair interactions of charged colloidal particles and their phase behavior. This includes simple DNA models, and DNA protein interactions, as well as developing coarse grained models for DNA-Histone complexes. We also investigate in depth polyelectrolyte hydrogels and magnetically interacting ferrogels, as well as pure ferrofluids, where special attention is given to the structure of the solution and the magnetic response functions. Another interest is the applicability of mean-field models for the description of models with long range interactions, and possible improvements beyond the mean-field approach. This include local density functional methods based on the Poisson-Boltzmann functional, as well as strong coupling theories such as Wigner-crystal methods. In addition I am interested in the development of fast methods for the computation of long range interactions. These include pure Coulomb as well as dipolar interactions in various geometries (3D-1D), and under various boundary conditions. And least but not last, we are interested in developing fast methods to deal with fluid-structure couplings using various coupling schemes of particles to a lattice-boltzmann fluid. These can be charged fluids, as well as fluids that undergo reactions at boundaries, such as needed for active Janus-Colloids,or for catalytic particles. We also are interested to apply machine learning algorithms for the development of force-fields with almost DFT precision.

Some of our research is part of collaborative research centres such as:

Member of collaborative research centers

SFB 716 sfb716.uni-stuttgart.de

SFB 1313 sfb1313.uni-stuttgart.de

SFB 1333 crc1333.uni-stuttgart.de

FOR 2811 FOR2811.uni-mainz.de

SimTech SimTech Cluster of Excellence

NanodiagBW Clusters4Future NanodiaBW

MultiXscale EuroHPC JU Centre of Excellence

CECAM CECAM Node Soft Matter and Statistical Mechanics (SMSM)

Publications

ResearcherID: C-2134-2009

ORCID: 0000-0003-2739-310X

Google Scholar: Christian Holm


2022

  • David Beyer, Peter Košovan, Christian Holm.
    Simulations explain the Swelling Behavior of Hydrogels with Alternating Neutral and Weakly Acidic Blocks.
    Macromolecules 55(23):10751–10760, 2022.
    [PDF] (4.2 MB) [Preprint] [DOI]
  • Ingo Tischler, Florian Weik, Robert Kaufmann, Michael Kuron, Rudolf Weeber, Christian Holm.
    A thermalized electrokinetics model including stochastic reactions suitable for multiscale simulations of reaction–advection–diffusion systems.
    Journal of Computational Science 63:101770, 2022.
    [PDF] (1.3 MB) [Preprint] [DOI]
  • Jonas Landsgesell, David Beyer, Pascal Hebbeker, Peter Košovan, Christian Holm.
    The pH-Dependent Swelling of Weak Polyelectrolyte Hydrogels Modeled at Different Levels of Resolution.
    Macromolecules 55(8):3176–3188, 2022.
    [PDF] (3.8 MB) [Preprint] [DOI]
  • David Beyer, Jonas Landsgesell, Pascal Hebbeker, Oleg Rud, Raju Lunkad, Peter Košovan, Christian Holm.
    Correction to “Grand-Reaction Method for Simulations of Ionization Equilibria Coupled to Ion Partitioning”.
    Macromolecules 55(3):1088, 2022.
    [PDF] (523 KB) [DOI]
  • Wendong Wang, Gaurav Gardi, Paolo Malgaretti, Vimal Kishore, Lyndon Koens, Donghoon Son, Hunter Gilbert, Zongyuan Wu, Palak Harwani, Eric Lauga, Christian Holm, Metin Sitti.
    Order and information in the patterns of spinning magnetic micro-disks at the air-water interface.
    Science Advances 8(2):eabk0685, 2022.
    [PDF] (19 MB) [Preprint] [DOI]


2021

  • Johannes Zeman, Svyatoslav Kondrat, Christian Holm.
    Ionic screening in bulk and under confinement.
    The Journal of Chemical Physics 155(20):204501, 2021.
    [PDF] (11 MB) [Preprint] [DOI]
  • Linda Feuerstein, Carl Georg Biermann, Zuyao Xiao, Christian Holm, Juliane Simmchen.
    Highly Efficient Active Colloids Driven by Galvanic Exchange Reactions.
    Journal of the American Chemical Society 143(41):17015–17022, 2021.
    [PDF] (4.9 MB) [DOI]
  • Julia M. Riede, Christian Holm, Syn Schmitt, Daniel F. B. Haeufle.
    The control effort to steer self-propelled microswimmers depends on their morphology: comparing symmetric spherical versus asymmetric L-shaped particles.
    Royal Society Open Science 8(9):201839, 2021.
    [PDF] (994 KB) [DOI]
  • Kai Szuttor, Patrick Kreissl, Christian Holm.
    A numerical investigation of analyte size effects in nanopore sensing systems.
    The Journal of Chemical Physics 155(13):134902, 2021.
    [PDF] (4.8 MB) [Preprint] [DOI]
  • Oleg V. Rud, Jonas Landsgesell, Christian Holm, Peter Košovan.
    Modeling of weak polyelectrolyte hydrogels under compression – Implications for water desalination.
    Desalination 506:114995, 2021.
    [PDF] (3.1 MB) [DOI]
  • Roman Staňo, Peter Košovan, Andrea Tagliabue, Christian Holm.
    Electrostatically Cross-Linked Reversible Gels—Effects of pH and Ionic Strength.
    Macromolecules 54(10):4769–4781, 2021.
    [PDF] (4.5 MB) [DOI]
  • Rudolf Weeber, Patrick Kreissl, Christian Holm.
    Magnetic field controlled behavior of magnetic gels studied using particle-based simulations.
    Physical Sciences Reviews :20190106, 2021.
    [DOI]
  • Arndt Wagner, Elissa Eggenweiler, Felix Weinhardt, Zubin Trivedi, David Krach, Christoph Lohrmann, Kartik Jain, Nikolaos Karadimitriou, Carina Bringedal, Paul Voland, Christian Holm, Holger Class, Holger Steeb, Iryna Rybak.
    Permeability Estimation of Regular Porous Structures: A Benchmark for Comparison of Methods.
    Transport in Porous Media 138(1):1–23, 2021.
    [PDF] (2.0 MB) [DOI]
  • Andrea Tagliabue, Jonas Landsgesell, Massimo Mella, Christian Holm.
    Can oppositely charged polyelectrolyte stars form a gel? A simulational study.
    Soft Matter 17(6):1574–1588, 2021.
    [PDF] (5.3 MB) [DOI]
  • Miru Lee, Christoph Lohrmann, Kai Szuttor, Harold Auradou, Christian Holm.
    The influence of motility on bacterial accumulation in a microporous channel.
    Soft Matter 17(4):893–902, 2021.
    [PDF] (3.4 MB) [DOI]
  • Patrick Kreissl, Christian Holm, Rudolf Weeber.
    Frequency-dependent magnetic susceptibility of magnetic nanoparticles in a polymer solution: a simulation study.
    Soft Matter 17(1):174–183, 2021.
    [PDF] (3.0 MB) [DOI]
  • Kai Szuttor, Florian Weik, Jean-Noël Grad, Christian Holm.
    Modeling the current modulation of bundled DNA structures in nanopores.
    The Journal of Chemical Physics 154(5):054901, 2021.
    [PDF] (3.0 MB) [Preprint] [DOI]
  • Michael Kuron, Cameron Stewart, Joost de Graaf, Christian Holm.
    An extensible lattice Boltzmann method for viscoelastic flows: complex and moving boundaries in Oldroyd-B fluids.
    European Physical Journal E 44(1):1–14, 2021.
    [PDF] (1.3 MB) [Preprint] [DOI]
  • Ingo Tischler, Alexander Schlaich, Christian Holm.
    The Presence of a Wall Enhances the Probability for Ring-Closing Metathesis: Insights from Classical Polymer Theory and Atomistic Simulations.
    Macromolecular Theory and Simulations 30(2):2000076, 2021.
    [PDF] (1.3 MB) [DOI]


2020

  • Jonas Landsgesell, David Sean, Patrick Kreissl, Kai Szuttor, Christian Holm.
    Erratum: Modeling Gel Swelling Equilibrium in the Mean Field: From Explicit to Poisson-Boltzmann Models [Phys. Rev. Lett. 122, 208002 (2019)].
    Physical Review Letters 124(11):119901, 2020.
    [PDF] (255 KB) [DOI]
  • Johannes Zeman, Svyatoslav Kondrat, Christian Holm.
    Bulk ionic screening lengths from extremely large-scale molecular dynamics simulations.
    Chemical Communications 56(100):15635–15638, 2020.
    [PDF] (2.1 MB) [Preprint] [DOI]
  • Konrad Breitsprecher, Mathijs Janssen, Pattarachai Srimuk, B. Layla Mehdi, Volker Presser, Christian Holm, Svyatoslav Kondrat.
    How to speed up ion transport in nanopores.
    Nature Communications 11(1):6085, 2020.
    [PDF] (1.9 MB) [DOI]
  • Jonas Landsgesell, Pascal Hebbeker, Oleg Rud, Raju Lunkad, Peter Košovan, Christian Holm.
    Grand-Reaction Method for Simulations of Ionization Equilibria Coupled to Ion Partitioning.
    Macromolecules 53(8):3007–3020, 2020.
    [PDF] (1.7 MB) [Preprint] [DOI]
  • Samuel Tovey, Anand Narayanan Krishnamoorthy, Ganesh Sivaraman, Jicheng Guo, Chris Benmore, Andreas Heuer, Christian Holm.
    DFT Accurate Interatomic Potential for Molten NaCl from Machine Learning.
    The Journal of Physical Chemistry C 124(47):25760-25768, 2020.
    [PDF] (1.4 MB) [DOI]
  • Ganesh Sivaraman, Anand Narayanan Krishnamoorthy, Matthias Baur, Christian Holm, Marius Stan, Gábor Csányi, Chris Benmore, Álvaro Vázquez-Mayagoitia.
    Machine-learned interatomic potentials by active learning: amorphous and liquid hafnium dioxide.
    npj Computational Materials 6(1):104, 2020.
    [PDF] (1.4 MB) [DOI]
  • Pedro A. Sánchez, Martin Vögele, Jens Smiatek, Baofu Qiao, Marcello Sega, Christian Holm.
    PDADMAC/PSS Oligoelectrolyte Multilayers: Internal Structure and Hydration Properties at Early Growth Stages from Atomistic Simulations.
    Molecules 25(8), 2020.
    [PDF] (3.8 MB) [DOI]
  • Johannes Zeman, Christian Holm, Jens Smiatek.
    The Effect of Small Organic Cosolutes on Water Structure and Dynamics.
    Journal of Chemical & Engineering Data 65(3):1197–1210, 2020.
    [PDF] (1.8 MB) [DOI]


2019

  • Christian Holm, Thomas Ertl, Siegfried Schmauder, Johannes Kästner, Joachim Gross.
    Particle methods in natural science and engineering.
    European Physical Journal Special Topics 227(14):1493–1499, 2019.
    [PDF] (124 KB) [DOI]
  • Milena Smiljanic, Rudolf Weeber, Dirk Pflüger, Christian Holm, Andreas Kronenburg.
    Developing coarse-grained models for agglomerate growth.
    European Physical Journal Special Topics 227(14):1515–1527, 2019.
    [PDF] (894 KB) [DOI]
  • Tamal Roy, Kai Szuttor, Jens Smiatek, Christian Holm, Steffen Hardt.
    Conformation and Dynamics of Long-Chain End-Tethered Polymers in Microchannels.
    Polymers 11(3):488, 2019.
    [PDF] (2.3 MB) [DOI]
  • Pedro A. Sánchez, Martin Vögele, Jens Smiatek, Baofu Qiao, Marcello Sega, Christian Holm.
    Atomistic simulation of PDADMAC/PSS oligoelectrolyte multilayers: overall comparison of tri- and tetra-layer systems.
    Soft Matter 15(46):9437–9451, 2019.
    [PDF] (6.7 MB) [DOI]
  • Jonas Landsgesell, Christian Holm.
    Cell Model Approaches for Predicting the Swelling and Mechanical Properties of Polyelectrolyte Gels.
    Macromolecules 52(23):9341–9353, 2019.
    [PDF] (3.0 MB) [Preprint] [DOI]
  • Lukas Arens, Dennis Barther, Jonas Landsgesell, Christian Holm , Manfred Wilhelm.
    Poly(sodium acrylate) hydrogels: synthesis of various network architectures, local molecular dynamics, salt partitioning, desalination and simulation.
    Soft Matter 15(48):9949–9964, 2019.
    [PDF] (5.1 MB) [DOI]
  • Jonas Landsgesell, David Sean, Patrick Kreissl, Kai Szuttor, Christian Holm.
    Modeling Gel Swelling Equilibrium in the Mean Field: From Explicit to Poisson-Boltzmann Models.
    Physical Review Letters 122(20):208002, 2019.
    [PDF] (500 KB) [DOI]
  • Rudolf Weeber, Franziska Nestler, Florian Weik, Michael Pippig, Daniel Potts, Christian Holm.
    Accelerating the calculation of dipolar interactions in particle based simulations with open boundary conditions by means of the P2NFFT method.
    Journal of Computational Physics 391:243–258, 2019.
    [PDF] (12 MB) [Preprint] [DOI]
  • Miru Lee, Kai Szuttor, Christian Holm.
    A computational model for bacterial run-and-tumble motion.
    The Journal of Chemical Physics 150(17):174111, 2019.
    [PDF] (1.7 MB) [DOI]
  • Florian Weik, Kai Szuttor, Jonas Landsgesell, Christian Holm.
    Modeling the current modulation of dsDNA in nanopores – from mean-field to atomistic and back.
    European Physical Journal Special Topics 227(14):1639–1655, 2019.
    [PDF] (576 KB) [DOI]
  • Christian Holm, Thomas Ertl, Siegfried Schmauder, Johannes Kästner, Joachim Gross.
    Particle methods in natural science and engineering.
    European Physical Journal Special Topics 227(14):1493–1499, 2019.
    [PDF] (124 KB) [DOI]
  • Florian Weik, Rudolf Weeber, Kai Szuttor, Konrad Breitsprecher, Joost de Graaf, Michael Kuron, Jonas Landsgesell, Henri Menke, David Sean, Christian Holm.
    ESPResSo 4.0 – an extensible software package for simulating soft matter systems.
    European Physical Journal Special Topics 227(14):1789–1816, 2019.
    [PDF] (1.0 MB) [DOI]
  • Jonas Landsgesell, Lucie Nová, Oleg Rud, Filip Uhlík, David Sean, Pascal Hebbeker, Christian Holm, Peter Košovan.
    Simulations of ionization equilibria in weak polyelectrolyte solutions and gels.
    Soft Matter 15(6):1155–1185, 2019.
    [PDF] (6.5 MB) [DOI]
  • David Sean, Jonas Landsgesell, Christian Holm.
    Influence of weak groups on polyelectrolyte mobilities.
    Electrophoresis 40(5):799–809, 2019.
    [PDF] (994 KB) [DOI]
  • Rudolf Weeber, Patrick Kreissl, Christian Holm.
    Studying the field-controlled change of shape and elasticity of magnetic gels using particle-based simulations.
    Archive of Applied Mechanics 89(1):3–16, 2019.
    [PDF] (2.3 MB) [DOI]
  • Michael Kuron, Philipp Stärk, Christian Burkard, Joost de Graaf, Christian Holm.
    A lattice Boltzmann model for squirmers.
    The Journal of Chemical Physics 150(14):144110, 2019.
    [PDF] (1.1 MB) [Preprint] [DOI]
  • Michael Kuron, Philipp Stärk, Christian Holm, Joost de Graaf.
    Hydrodynamic mobility reversal of squirmers near flat and curved surfaces.
    Soft Matter 15(29):5908–5920, 2019.
    [PDF] (4.2 MB) [Preprint] [DOI]


2018

  • Johannes Hartmann, Tamal Roy, Kai Szuttor, Jens Smiatek, Christian Holm, Steffen Hardt.
    Relaxation of surface-tethered polymers under moderate confinement.
    Soft Matter 14(38):7926–7933, 2018.
    [PDF] (2.5 MB) [DOI]
  • Konrad Breitsprecher, Christian Holm, Svyatoslav Kondrat.
    Charge Me Slowly, I Am in a Hurry: Optimizing Charge–Discharge Cycles in Nanoporous Supercapacitors.
    ACS Nano 12(10):9733–9741, 2018.
    [PDF] (3.9 MB) [DOI]
  • Anand Narayanan Krishnamoorthy, Kristina Oldiges, Martin Winter, Andreas Heuer, Isidora Cekic-Laskovic, Christian Holm, Jens Smiatek.
    Electrolyte solvents for high voltage lithium ion batteries: ion correlation and specific anion effects in adiponitrile.
    Physical Chemistry Chemical Physics 20(40):25701–25715, 2018.
    [PDF] (2.5 MB) [DOI]
  • Julian Michalowsky, Johannes Zeman, Christian Holm, Jens Smiatek.
    A polarizable MARTINI model for monovalent ions in aqueous solution.
    The Journal of Chemical Physics 149(16):163319, 2018.
    [PDF] (1.9 MB) [DOI]
  • Anand Narayanan Krishnamoorthy, Christian Holm, Jens Smiatek.
    Influence of Cosolutes on Chemical Equilibrium: a Kirkwood-Buff Theory for Ion Pair Association-Dissociation Processes in Ternary Electrolyte Solutions.
    The Journal of Physical Chemistry C 122(19):10293–10302, 2018.
    [PDF] (717 KB) [DOI]
  • Anand Narayanan Krishnamoorthy, Christian Holm, Jens Smiatek.
    Specific ion effects for polyelectrolytes in aqueous and non-aqueous media: the importance of the ion solvation behavior.
    Soft Matter 14(30):6243–6255, 2018.
    [PDF] (4.3 MB) [DOI]
  • Michael Kuron, Patrick Kreissl, Christian Holm.
    Toward Understanding of Self-Electrophoretic Propulsion under Realistic Conditions: From Bulk Reactions to Confinement Effects.
    Accounts of Chemical Research 51(12):2998–3005, 2018.
    [PDF] (3.6 MB) [DOI]
  • Jens Smiatek, Christian Holm.
    From the Atomistic to the Macromolecular Scale: Distinct Simulation Approaches for Polyelectrolyte Solutions.
    In Handbook of Materials Modeling: Methods: Theory and Modeling, pages 1–15.
    Springer International Publishing, Cham, 2018. ISBN: 978-3-319-42913-7.
    [PDF] (368 KB) [DOI]
  • Frank Uhlig, Johannes Zeman, Jens Smiatek, Christian Holm.
    First-Principles Parametrization of Polarizable Coarse-Grained Force Fields for Ionic Liquids.
    Journal of Chemical Theory and Computation 14(3):1471–1486, 2018.
    [PDF] (1.2 MB) [DOI]
  • Alexander Weyman, Markus Bier, Christian Holm, Jens Smiatek.
    Microphase Separation and the Formation of Ion Conductivity Channels in Poly(Ionic Liquid)s: A Coarse-Grained Molecular Dynamics Study.
    The Journal of Chemical Physics 148(19), 2018.
    [PDF] (3.5 MB) [DOI]
  • Rudolf Weeber, Melissa Hermes, Annette M. Schmidt, Christian Holm.
    Polymer architecture of magnetic gels: a review.
    Journal of Physics: Condensed Matter 30(6):063002, 2018.
    [PDF] (3.3 MB) [DOI]


2017

  • Konrad Breitsprecher, Manuel Abele, Svystolsav Kondrat, Christian Holm.
    The effect of finite pore length on ion structure and charging.
    The Journal of Chemical Physics 147(10):104708, 2017.
    [PDF] (3.2 MB) [DOI]
  • David Sean, Jonas Landsgesell, Christian Holm.
    Computer Simulations of Static and Dynamical Properties of Weak Polyelectrolyte Nanogels in Salty Solutions.
    Gels 4(1):2, 2018.
    [PDF] (976 KB) [DOI]
  • Frank Uhlig, Jens Smiatek, Christian Holm.
    Many-body effects in simulations of ionic liquids.
    In Proceedings of the 3rd bwHPC-Symposium, Heidelberg 2016, pages 121–123.
    heiBOOKS, 2017. ISBN: 978-3-946531-70-8.
    [PDF] (1.7 MB) [DOI]
  • Tamal Roy, Kai Szuttor, Jens Smiatek, Christian Holm, Steffen Hardt.
    Electric-field-induced stretching of surface-tethered polyelectrolytes in a microchannel.
    Physical Review E 96(3):032503, 2017.
    [PDF] (794 KB) [DOI]
  • Tamal Roy, Kai Szuttor, Jens Smiatek, Christian Holm, Steffen Hardt.
    Stretching of surface-tethered polymers in pressure-driven flow under confinement.
    Soft Matter 13(36):6189–6196, 2017.
    [PDF] (2.8 MB) [DOI]
  • Kai Szuttor, Tamal Roy, Steffen Hardt, Christian Holm, Jens Smiatek.
    The stretching force on a tethered polymer in pressure-driven flow.
    The Journal of Chemical Physics 147(3):034902, 2017.
    [PDF] (1005 KB) [DOI]
  • Tobias Richter, Jonas Landsgesell, Peter Košovan, Christian Holm.
    On the efficiency of a hydrogel-based desalination cycle.
    Desalination 414:28–34, 2017.
    [PDF] (1.1 MB) [DOI]
  • Gernot Bauer, Nadezhda Gribova, Alexander Lange, Christian Holm, Joachim Gross.
    Three-body effects in triplets of capped gold nanocrystals.
    Molecular Physics 115(9-12):1031–1040, 2017.
    [PDF] (1.2 MB) [DOI]
  • Jonas Landsgesell, Christian Holm, Jens Smiatek.
    Simulation of weak polyelectrolytes: A comparison between the constant pH and the reaction ensemble method.
    European Physical Journal Special Topics 226(4):725–736, 2017.
    [PDF] (287 KB) [DOI]
  • Jonas Landsgesell, Christian Holm, Jens Smiatek.
    Wang–Landau Reaction Ensemble Method: Simulation of Weak Polyelectrolytes and General Acid-Base Reactions.
    Journal of Chemical Theory and Computation 13(2):852–862, 2017.
    [PDF] (2.0 MB) [DOI]
  • Salomon Chung, Sela Samin, Christian Holm, Jean-Guillaume Malherbe, Saïd Amokrane.
    Dynamics of field-driven population inversion in a confined colloidal mixture.
    Physical Review E 95(2):022605, 2017.
    [PDF] (2.3 MB) [DOI]
  • Tobias Rau, Florian Weik, Christian Holm.
    A dsDNA model optimized for electrokinetic applications.
    Soft Matter 13(21):3918–3926, 2017.
    [PDF] (3.3 MB) [DOI]
  • Oleg Rud, Tobias Richter, Oleg Borisov, Christian Holm, Peter Košovan.
    A self-consistent mean-field model for polyelectrolyte gels.
    Soft Matter 13(18):3264–3274, 2017.
    [PDF] (3.6 MB) [DOI]
  • Julian Michalowsky, Lars V. Schäfer, Christian Holm, Jens Smiatek.
    A refined polarizable water model for the coarse-grained MARTINI force field with long-range electrostatic interactions.
    The Journal of Chemical Physics 146(5):054501, 2017.
    [PDF] (512 KB) [DOI]
  • Ran Niu, Patrick Kreissl, Aidan Thomas Brown, Georg Rempfer, Denis Botin, Christian Holm, Thomas Palberg, Joost de Graaf.
    Microfluidic pumping by micromolar salt concentrations.
    Soft Matter 13(7):1505–1518, 2017.
    [PDF] (4.5 MB) [DOI]
  • Aidan T. Brown, Wilson C. K. Poon, Christian Holm, Joost de Graaf.
    Ionic screening and dissociation are crucial for understanding chemical self-propulsion in polar solvents.
    Soft Matter 13(6):1200–1222, 2017.
    [PDF] (4.1 MB) [DOI]
  • Georg Rempfer, Sascha Ehrhardt, Christian Holm, Joost de Graaf.
    Nanoparticle Translocation through Conical Nanopores: A Finite Element Study of Electrokinetic Transport.
    Macromolecular Theory and Simulations 26(1):1600051, 2017.
    [PDF] (1.2 MB) [DOI]
  • Johannes Zeman, Frank Uhlig, Jens Smiatek, Christian Holm.
    A coarse-grained polarizable force field for the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate.
    Journal of Physics: Condensed Matter 29(50):504004, 2017.
    [PDF] (1.2 MB) [DOI]


2016

  • Samantha Micciulla, Julian Michalowsky, Martin A. Schroer, Christian Holm, Regine von Klitzing, Jens Smiatek.
    Concentration dependent effects of urea binding to poly(N-isopropylacrylamide) brushes: a combined experimental and numerical study.
    Physical Chemistry Chemical Physics 18(7):5324–5335, 2016.
    [PDF] (2.4 MB) [DOI]
  • Luigi Delle Site, Markus Deserno, Burkhard Dünweg, Christian Holm, Christine Peter, Harald Pleiner.
    Editorial: Modern simulation approaches in soft matter science: From fundamental understanding to industrial applications: Festschrift on the occasion of Kurt Kremer's 60th birthday.
    European Physical Journal Special Topics 225(8):1317–1321, 2016.
    [PDF] (86 KB) [DOI]
  • Volker Lesch, Andreas Heuer, Christian Holm, Jens Smiatek.
    Properties of Apolar Solutes in Alkyl Imidazolium-Based Ionic Liquids: The Importance of Local Interactions.
    ChemPhysChem 17(3):387–394, 2016.
    [PDF] (1.2 MB) [DOI]
  • Shilin Huang, Giorgio Pessot, Peet Cremer, Rudolf Weeber, Christian Holm, Johannes Nowak, Stefan Odenbach, Andreas M. Menzel, Günter K. Auernhammer.
    Buckling of paramagnetic chains in soft gels.
    Soft Matter 12(1):228–237, 2016.
    [PDF] (2.8 MB) [DOI]
  • Patrick Kreissl, Christian Holm, Joost de Graaf.
    The efficiency of self-phoretic propulsion mechanisms with surface reaction heterogeneity.
    The Journal of Chemical Physics 144(20):204902, 2016.
    [PDF] (1.6 MB) [DOI]
  • Peter Košovan, Tobias Richter, Christian Holm.
    Correction to Modeling of Polyelectrolyte Gels in Equilibrium with Salt Solutions.
    Macromolecules 49(6):2409-2409, 2016.
    [PDF] (118 KB) [DOI]
  • Michael Lahnert, Carsten Burstedde, Christian Holm, Miriam Mehl, Georg Rempfer, Florian Weik.
    Towards lattice-Boltzmann on dynamically adaptive grids — minimally-invasive grid exchange in ESPResSo.
    In Proceedings of the ECCOMAS Congress, pages 2566–2590 (VII European Congress on Computational Methods in Applied Sciences and Engineering, Crete Island, Greece, Jun 05–10 2016). Edited by M. Papadrakakis, V. Papadopoulos, G. Stefanou, V. Plevris.
    2016.
    [PDF] (1.1 MB) [DOI]
  • Pedro A. Sánchez, Jens Smiatek, Qiao Baofu, Marcello Sega, Christian Holm.
    Atomistic Simulation of Oligoelectrolyte Multilayers Growth.
    In High Performance Computing in Science and Engineering '15: Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2015, pages 215–228. Edited by E. Wolfgang Nagel, H. Dietmar Kröner, M. Michael Resch.
    Springer International Publishing, 2016. ISBN: 978-3-319-24633-8.
    [PDF] (292 KB) [DOI]
  • Joost de Graaf, Henri Menke, Arnold J. T. M. Mathijssen, Marc Fabritius, Christian Holm, Tyler N. Shendruk.
    Lattice-Boltzmann hydrodynamics of anisotropic active matter.
    The Journal of Chemical Physics 144(13):134106, 2016.
    [PDF] (1.9 MB) [DOI]
  • Joost de Graaf, Arnold J. T. M. Mathijssen, Marc Fabritius, Henri Menke, Christian Holm, Tyler N. Shendruk.
    Understanding the onset of oscillatory swimming in microchannels.
    Soft Matter 12(21):4704–4708, 2016.
    [PDF] (2.3 MB) [DOI]
  • Georg Rempfer, Gary B. Davies, Christian Holm, Joost de Graaf.
    Reducing spurious flow in simulations of electrokinetic phenomena.
    The Journal of Chemical Physics 145(4):044901, 2016.
    [PDF] (3.1 MB) [DOI]
  • Georg Rempfer, Sascha Ehrhardt, Nadanai Laohakunakorn, Gary B. Davies, Ulrich F. Keyser, Christian Holm, Joost de Graaf.
    Selective Trapping of DNA Using Glass Microcapillaries.
    Langmuir 32(33):8525–8532, 2016.
    [PDF] (4.1 MB) [DOI]
  • Konrad Breitsprecher, Anand Narayanan Krishnamoorthy, Jens Smiatek, Christian Holm.
    Force Field Optimization for Ionic Liquids: FFOIL.
    In High Performance Computing in Science and Engineering '15, pages 101–117.
    Springer, 2016.
    [PDF] (1.2 MB) [DOI]
  • José Rafael Bordin, Rudolf Podgornik, Christian Holm.
    Static polarizability effects on counterion distributions near charged dielectric surfaces: A coarse-grained Molecular Dynamics study employing the Drude model.
    European Physical Journal Special Topics 225(8):1693–1705, 2016.
    [PDF] (669 KB) [DOI]
  • Sven Erik Ilse, Christian Holm, Joost de Graaf.
    Surface roughness stabilizes the clustering of self-propelled triangles.
    The Journal of Chemical Physics 145(13):134904, 2016.
    [PDF] (14 MB) [DOI]
  • Ryan Burt, Konrad Breitsprecher, Barbara Daffos, Pierre-Louis Taberna, Patrice Simon, Greg Birkett, Xiu Song Zhao, Christian Holm, Mathieu Salanne.
    Capacitance of Nanoporous Carbon-Based Supercapacitors Is a Trade-Off between the Concentration and the Separability of the Ions.
    The Journal of Physical Chemistry Letters 7(19):4015–4021, 2016.
    [PDF] (483 KB) [DOI]
  • Anand Narayanan Krishnamoorthy, Johannes Zeman, Christian Holm, Jens Smiatek.
    Preferential solvation and ion association properties in aqueous dimethyl sulfoxide solutions.
    Physical Chemistry Chemical Physics 18(45):31312–31322, 2016.
    [PDF] (3.6 MB) [DOI]
  • Florian Weik, Stefan Kesselheim, Christian Holm.
    A coarse-grained DNA model for the prediction of current signals in DNA translocation experiments.
    The Journal of Chemical Physics 145(19):194106, 2016.
    [PDF] (2.2 MB) [DOI]
  • Michael Kuron, Georg Rempfer, Florian Schornbaum, Martin Bauer, Christian Godenschwager, Christian Holm, Joost de Graaf.
    Moving charged particles in lattice Boltzmann-based electrokinetics.
    The Journal of Chemical Physics 145(21):214102, 2016.
    [PDF] (718 KB) [DOI]


2015

  • Gernot Bauer, Alexander Lange, Nadezhda Gribova, Christian Holm, Joachim Gross.
    Effective potentials between gold nano crystals - functional dependence on temperature.
    Molecular Simulation 41(14):1153–1158, 2015.
    [PDF] (199 KB) [DOI]
  • Konrad Breitsprecher, Kai Szuttor, Christian Holm.
    Electrode Models for Ionic Liquid-Based Capacitors.
    The Journal of Chemical Physics C 119:22445–22451, 2015.
    [PDF] (1.3 MB) [DOI]
  • Lukas P. Fischer, Toni Peter, Christian Holm, Joost de Graaf.
    The raspberry model for hydrodynamic interactions revisited. I. Periodic arrays of spheres and dumbbells.
    The Journal of Chemical Physics 143(8):084107, 2015.
    [PDF] (2.7 MB) [DOI]
  • Joost de Graaf, Toni Peter, Lukas P. Fischer, Christian Holm.
    The raspberry model for hydrodynamic interactions revisited. II. The effect of confinement.
    The Journal of Chemical Physics 143(8):084108, 2015.
    [PDF] (818 KB) [DOI]
  • Joost de Graaf, Georg Rempfer, Christian Holm.
    Diffusiophoretic Self-Propulsion for Partially Catalytic Spherical Colloids.
    IEEE Transactions on NanoBioscience 14(3):272–288, 2015.
    [PDF] (2.2 MB) [DOI]
  • Florian Fahrenberger, Owen A. Hickey, Jens Smiatek, Christian Holm.
    Importance of varying permittivity on the conductivity of polyelectrolyte solutions.
    Physical Review Letters 115(11):118301, 2015.
    [PDF] (523 KB) [DOI]
  • Florian Fahrenberger, Owen A. Hickey, Jens Smiatek, Christian Holm.
    The influence of charged-induced variations in the local permittivity on the static and dynamic properties of polyelectrolyte solutions.
    The Journal of Chemical Physics 143(24):243140, 2015.
    [PDF] (1.9 MB) [DOI]
  • Christian Holm, Gerhard Gompper, Ken A. Dill.
    Preface: Special Topic on Coarse Graining of Macromolecules, Biopolymers, and Membranes.
    The Journal of Chemical Physics 143(24):242901, 2015.
    [PDF] (311 KB) [DOI]
  • Peter Košovan, Tobias Richter, Christian Holm.
    Modeling of Polyelectrolyte Gels in Equilibrium with Salt Solutions.
    Macromolecules 48(20):7698–7708, 2015.
    [PDF] (2.5 MB) [DOI]
  • Volker Lesch, Andreas Heuer, Christian Holm, Jens Smiatek.
    Solvent effects of 1-ethyl-3-methylimidazolium acetate: solvation and dynamic behavior of polar and apolar solutes.
    Physical Chemistry Chemical Physics 17(13):8480–8490, 2015.
    [PDF] (2.7 MB) [DOI]
  • Volker Lesch, Andreas Heuer, Vasileios A. Tatsis, Christian Holm, Jens Smiatek.
    Peptides in the presence of aqueous ionic liquids: tunable co-solutes as denaturants or protectants?
    Physical Chemistry Chemical Physics 17(39):26049–26053, 2015.
    [PDF] (1.8 MB) [DOI]
  • Giorgio Pessot, Rudolf Weeber, Christian Holm, Hartmut Löwen, Andreas M. Menzel.
    Towards a scale-bridging description of ferrogels and magnetic elastomers.
    Journal of Physics: Condensed Matter 27(32):325105, 2015.
    [PDF] (1.9 MB) [DOI]
  • Shervin Raafatnia, Owen A. Hickey, Christian Holm.
    Electrophoresis of a Spherical Polyelectrolyte-Grafted Colloid in Monovalent Salt Solutions: Comparison of Molecular Dynamics Simulations with Theory and Numerical Calculations.
    Macromolecules 48(3):775–787, 2015.
    [PDF] (2.0 MB) [DOI]
  • Aleksandr V. Ryzhkov, Petr V. Melenev, Christian Holm, Yuriy L. Raikher.
    Coarse-grained molecular dynamics simulation of small ferrogel objects.
    Journal of Magnetism and Magnetic Materials 383:277–280, 2015.
    [PDF] (1.4 MB) [DOI]
  • Martin Vögele, Christian Holm, Jens Smiatek.
    Properties of the polarizable MARTINI water model: A comparative study for aqueous electrolyte solutions.
    Journal of Molecular Liquids 212:103–110, 2015.
    [PDF] (792 KB) [DOI]
  • Martin Vögele, Christian Holm, Jens Smiatek.
    Coarse-grained simulations of polyelectrolyte complexes: MARTINI models for poly(styrene sulfonate) and poly(diallyldimethylammonium).
    The Journal of Chemical Physics 143(24):243151, 2015.
    [PDF] (910 KB) [DOI]
  • Rudolf Weeber, Sofia Kantorovich, Christian Holm.
    Ferrogels cross-linked by magnetic nanoparticles – Deformation mechanisms in two and three dimensions studied by means of computer simulations.
    Journal of Magnetism and Magnetic Materials 383:262–266, 2015.
    [PDF] (2.5 MB) [DOI]
  • Rudolf Weeber, Sofia Kantorovich, Christian Holm.
    Ferrogels cross-linked by magnetic particles: Field-driven deformation and elasticity studied using computer simulations.
    The Journal of Chemical Physics 143(15):154901, 2015.
    [PDF] (3.4 MB) [DOI]


2014

  • Konrad Breitsprecher, Peter Košovan, Christian Holm.
    Coarse-grained simulations of an ionic liquid-based capacitor I: density, ion size, and valency effects.
    Journal of Physics: Condensed Matter 26(28):284108, 2014.
    [PDF] (1.1 MB) [DOI]
  • Konrad Breitsprecher, Peter Košovan, Christian Holm.
    Coarse-grained simulations of an ionic liquid-based capacitor II: asymmetry in ion shape and charge localization.
    Journal of Physics: Condensed Matter 26(28):284114, 2014.
    [PDF] (1.3 MB) [DOI]
  • Florian Dommert, Katharina Wendler, Baofu Qiao, Luigi Delle Site, Christian Holm.
    Generic force fields for ionic liquids.
    Journal of Molecular Liquids 192:32–37, 2014.
    [PDF] (711 KB) [DOI]
  • Thomas Ertl, Michael Krone, Stefan Kesselheim, Katrin Scharnowski, Guido Reina, Christian Holm.
    Visual Analysis for Space-Time Aggregation of Biomolecular Simulations.
    Faraday Discussions 169(0):167–178, 2014.
    [PDF] (2.7 MB) [DOI]
  • Florian Fahrenberger, Christian Holm.
    Computing the Coulomb interaction in inhomogeneous dielectric media via a local electrostatics lattice algorithm.
    Physical Review E 90(6):063304, 2014.
    [PDF] (896 KB) [DOI]
  • Florian Fahrenberger, Zhenli Xu, Christian Holm.
    Simulation of electric double layers around charged colloids in aqueous solution of variable permittivity.
    The Journal of Chemical Physics 141(6):064902, 2014.
    [PDF] (986 KB) [DOI]
  • Owen A. Hickey, Christian Holm, Jens Smiatek.
    Lattice-Boltzmann simulations of the electrophoretic stretching of polyelectrolytes: The importance of hydrodynamic interactions.
    The Journal of Chemical Physics 140(16):164904, 2014.
    [PDF] (739 KB) [DOI]
  • Stefan Kesselheim, Wojciech Müller, Christian Holm.
    Origin of Current Blockades in Nanopore Translocation Experiments.
    Physical Review Letters 112(1):018101, 2014.
    [PDF] (351 KB) [DOI]
  • Stefan Kesselheim, Christian Holm.
    Modeling DNA in Nanopores.
    In Electrostatics of Soft and Disordered Media, pages 315–334. Edited by R. David Dean, Jure Dobnikar, Ali Naji, Rudolf Podgornik.
    Pan Stanford Publishing, 2014.
    [DOI]
  • Anand Narayanan Krishnamoorthy, Christian Holm, Jens Smiatek.
    Local Water Dynamics around Antifreeze Protein Residues in the Presence of Osmolytes: The Importance of Hydroxyl and Disaccharide Groups.
    The Journal of Physical Chemistry B 118(40):11613–11621, 2014.
    [PDF] (1.0 MB) [DOI]
  • Samantha Micciulla, Pedro A. Sánchez, Jens Smiatek, Baofu Qiao, Marcello Sega, André Laschewsky, Christian Holm, Regine von Klitzing.
    Layer-by-Layer Formation of Oligoelectrolyte Multilayers: A Combined Experimental and Computational Study.
    Soft Materials 12(sup1):S14–S21, 2014.
    [PDF] (581 KB) [DOI]
  • Shervin Raafatnia, Owen A. Hickey, Marcello Sega, Christian Holm.
    Computing the Electrophoretic Mobility of Large Spherical Colloids by Combining Explicit Ion Simulations with the Standard Electrokinetic Model.
    Langmuir 30(7):1758–1767, 2014.
    [PDF] (1.1 MB) [DOI]
  • Shervin Raafatnia, Owen A. Hickey, Christian Holm.
    Mobility Reversal of Polyelectrolyte-Grafted Colloids in Monovalent Salt Solutions.
    Physical Review Letters 113(23):238301, 2014.
    [PDF] (336 KB) [DOI]
  • Marcello Sega, Sofia S. Kantorovich, Christian Holm, Axel Arnold.
    Communication: Kinetic and pairing contributions in the dielectric spectra of electrolyte solutions.
    The Journal of Chemical Physics 140(21):211101, 2014.
    [PDF] (1.2 MB) [DOI]
  • Jens Smiatek, Andreas Wohlfarth, Christian Holm.
    The solvation and ion condensation properties for sulfonated polyelectrolytes in different solvents—a computational study.
    New Journal of Physics 16(2):025001, 2014.
    [PDF] (742 KB) [DOI]
  • Apostolos Vagias, Peter Košovan, Kaloian Koynov, Christian Holm, Hans-Jürgen Butt, George Fytas.
    Dynamics in Stimuli-Responsive Poly(N-isopropylacrylamide) Hydrogel Layers As Revealed by Fluorescence Correlation Spectroscopy.
    Macromolecules 47(15):5303–5312, 2014.
    [PDF] (1.5 MB) [DOI]


2013

  • Axel Arnold, Olaf Lenz, Stefan Kesselheim, Rudolf Weeber, Florian Fahrenberger, Dominic Röhm, Peter Košovan, Christian Holm.
    ESPResSo 3.1 – Molecular Dynamics Software for Coarse-Grained Models.
    In Meshfree Methods for Partial Differential Equations VI, pages 1–23. Edited by Michael Griebel, Marc Alexander Schweitzer. Part of Lecture Notes in Computational Science and Engineering, volume 89.
    Springer Berlin Heidelberg, 2013.
    [PDF] (380 KB) [DOI]
  • Axel Arnold, Florian Fahrenberger, Christian Holm, Olaf Lenz, Matthias Bolten, Holger Dachsel, Rene Halver, Ivo Kabadshow, Franz Gähler, Frederik Heber, Julian Iseringhausen, Michael Hofmann, Michael Pippig, Daniel Potts, Godehard Sutmann.
    Comparison of scalable fast methods for long-range interactions.
    Physical Review E 88(6):063308, 2013.
    [PDF] (2.3 MB) [DOI]
  • Axel Arnold, Konrad Breitsprecher, Florian Fahrenberger, Stefan Kesselheim, Olaf Lenz, Christian Holm.
    Efficient Algorithms for Electrostatic Interactions Including Dielectric Contrasts.
    Entropy 15(11):4569–4588, 2013.
    [PDF] (2.6 MB) [DOI]
  • Juan J. Cerdà, Pedro A. Sánchez, Christian Holm, Tomás Sintes.
    Phase diagram for a single flexible Stockmayer polymer at zero field.
    Soft Matter 9:7185–7195, 2013.
    [PDF] (1.6 MB) [DOI]
  • Rajarshi Chakrabarti, Stefan Kesselheim, Peter Košovan, Christian Holm.
    Tracer diffusion in a crowded cylindrical channel.
    Physical Review E 87(6):062709, 2013.
    [PDF] (906 KB) [DOI]
  • Florian Dommert, Christian Holm.
    Refining classical force fields for ionic liquids: theory and application to [MMIm][Cl].
    Physical Chemistry Chemical Physics 15(6):2037–2049, 2013.
    [PDF] (3.9 MB) [DOI]
  • Owen A. Hickey, Christian Holm.
    Electrophoretic mobility reversal of polyampholytes induced by strong electric fields or confinement.
    The Journal of Chemical Physics 138(19):194905, 2013.
    [PDF] (839 KB) [DOI]
  • Johannes Höpfner, Tobias Richter, Peter Košovan, Christian Holm, Manfred Wilhelm.
    Seawater Desalination via Hydrogels: Practical Realisation and First Coarse Grained Simulations.
    In Intelligent Hydrogels, pages 247–263. Edited by Gabriele Sadowski, Walter Richtering. Part of Progress in Colloid and Polymer Science, volume 140.
    Springer International Publishing, 2013. ISBN: 978-3-319-01682-5.
    [PDF] (1.0 MB) [DOI]
  • Marco Klinkigt, Rudolf Weeber, Sofia Kantorovich, Christian Holm.
    Cluster formation in systems of shifted-dipole particles.
    Soft Matter 9(13):3535–3546, 2013.
    [PDF] (893 KB) [DOI]
  • Peter Košovan, Tobias Richter, Christian Holm.
    Molecular Simulations of Hydrogels.
    In Intelligent Hydrogels, pages 205–221. Edited by Gabriele Sadowski, Walter Richtering. Part of Progress in Colloid and Polymer Science, volume 140.
    Springer International Publishing, 2013. ISBN: 978-3-319-01682-5.
    [PDF] (650 KB) [DOI]
  • Sela Samin, Yoav Tsori, Christian Holm.
    Vapor-liquid coexistence of the Stockmayer fluid in nonuniform external fields.
    Physical Review E 87(5), 2013.
    [PDF] (301 KB) [DOI]
  • Pedro A. Sánchez, Joan J. Cerdà, Tomás Sintes, Christian Holm.
    Effects of the dipolar interaction on the equilibrium morphologies of a single supramolecular magnetic filament in bulk.
    The Journal of Chemical Physics 139(4), 2013.
    [PDF] (1.0 MB) [DOI]
  • Marcello Sega, Sofia S. Kantorovich, Axel Arnold, Christian Holm.
    On the Calculation of the Dielectric Properties of Liquid Ionic Systems.
    In Recent Advances in Broadband Dielectric Spectroscopy, pages 103–122. Edited by Yuri P. Kalmykov. Part of NATO Science for Peace and Security Series B: Physics and Biophysics.
    Springer Netherlands, 2013. ISBN: 978-94-007-5011-1.
    [PDF] (903 KB) [DOI]
  • Ilya Semenov, Shervin Raafatnia, Marcello Sega, Vladimir Lobaskin, Christian Holm, Friedrich Kremer.
    Electrophoretic mobility and charge inversion of a colloidal particle studied by single-colloid electrophoresis and molecular dynamics simulations.
    Physical Review E 87(2):022302, 2013.
    [PDF] (1.2 MB) [DOI]
  • Apostolos Vagias, Riccardo Raccis, Kaloian Koynov, Ulrich Jonas, Hans-Jürgen Butt, George Fytas, Peter Košovan, Olaf Lenz, Christian Holm.
    Complex Tracer Diffusion Dynamics in Polymer Solutions.
    Physical Review Letters 111(8):088301, 2013.
    [PDF] (492 KB) [DOI]
  • Apostolos Vagias, Peter Košovan, Christian Holm, Hans-Jürgen Butt, Kaloian Koynov, George Fytas.
    Tracer Mobility in Aqueous Poly(N-isopropylacrylamide) Grafted Networks: Effect of Interactions and Permanent Crosslinks.
    In Intelligent Hydrogels, pages 53–62. Edited by Gabriele Sadowski, Walter Richtering. Part of Progress in Colloid and Polymer Science, volume 140.
    Springer International Publishing, 2013. ISBN: 978-3-319-01682-5.
    [PDF] (429 KB) [DOI]
  • Rudolf Weeber, Marco Klinkigt, Sofia Kantorovich, Christian Holm.
    Microstructure and magnetic properties of magnetic fluids consisting of shifted dipole particles under the influence of an external magnetic field.
    The Journal of Chemical Physics 139(21):214901, 2013.
    [PDF] (1.9 MB) [DOI]


2012

  • Stefan Kesselheim, Marcello Sega, Christian Holm.
    Effects of dielectric mismatch and chain flexibility on the translocation barriers of charged macromolecules through solid state nanopores.
    Soft Matter 8(36):9480–9486, 2012.
    [PDF] (353 KB) [DOI]
  • Sven Bachthaler, Filip Sadlo, Rudolf Weeber, Sofia Kantorovich, Christian Holm, Daniel Weiskopf.
    Magnetic Flux Topology of 2D Point Dipoles.
    Computer Graphics Forum 31(3, Part 1):955–964, 2012.
    [PDF] (2.1 MB) [DOI]
  • Luigi Delle Site, Christian Holm, Nico F. A. van der Vegt.
    Multiscale Approaches and Perspectives to Modeling Aqueous Electrolytes and Polyelectrolytes.
    In Multiscale Molecular Methods in Applied Chemistry, pages 251–294. Edited by B. Kirchner, J. Vrabec. Part of Topics in Current Chemistry, volume 307.
    Springer-Verlag, 2012. ISBN: 978-3-642-24968-6.
    [PDF] (1.1 MB) [DOI]
  • Juan J. Cerdà, Christian Holm, Baofu Qiao.
    Modeling the Structure and Dynamics of Polyelectrolyte Multilayers.
    In Ionic Interactions in Natural and Synthetic Macromolecules, chapter 5, pages 121–166. Edited by Alberto Ciferri, Angelo Perico. Edition 1.
    John Wiley & Sons, Inc., 2012. ISBN: 9781118165850.
    [PDF] (1.3 MB) [DOI]
  • Bao-Fu Qiao, Marcello Sega, Christian Holm.
    Properties of water in the interfacial region of a polyelectrolyte bilayer adsorbed onto a substrate studied by computer simulations.
    Physical Chemistry Chemical Physics 14(32):11425–11432, 2012.
    [DOI]
  • Rudolf Weeber, Sofia Kantorovich, Christian Holm.
    Deformation mechanisms in 2D magnetic gels studied by computer simulations.
    Soft Matter 8(38):9923–9932, 2012.
    [PDF] (1.7 MB) [DOI]
  • Florian Dommert, Katharina Wendler, Robert Berger, Luigi Delle Site, Christian Holm.
    Force Fields for Studying the Structure and Dynamics of Ionic Liquids: A Critical Review of Recent Developments.
    ChemPhysChem 13(7):1625–1637, 2012.
    [PDF] (691 KB) [DOI]
  • Katharina Wendler, Florian Dommert, Yuan Yuan Zhao, Robert Berger, Christian Holm, Luigi Delle Site.
    Ionic liquids studied across different scales: A computational perspective.
    Faraday Discussions 154:111–132, 2012.
    [PDF] (493 KB) [DOI]
  • Vincent Ballenegger, Joan J. Cerdà, Christian Holm.
    How to Convert SPME to P3M: Influence Functions and Error Estimates.
    Journal of Chemical Theory and Computation 8(3):936–947, 2012.
    [PDF] (489 KB) [DOI]


2011

  • Axel Arnold, Olaf Lenz, Christian Holm.
    Simulating Charged Systems with ESPResSo.
    In Fast Methods for Long-Range Interactions in Complex Systems. Edited by Thomas Lippert, Godehard Sutmann, Paul Gibbon.
    Forschungszentrum Juelich, 2011.
    [PDF] (6.0 MB)
  • Baofu Qiao, Marcello Sega, Christian Holm.
    An atomistic study of a poly(styrene sulfonate)/poly(diallyldimethylammonium) bilayer: the role of surface properties and charge reversal.
    Physical Chemistry Chemical Physics 13(36):16336–16342, 2011.
    [PDF] (4.6 MB) [DOI]
  • Baofu Qiao, Juan J. Cerdà, Christian Holm.
    Atomistic Study of Surface Effects on Polyelectrolyte Adsorption: Case Study of a Poly(styrenesulfonate) Monolayer.
    Macromolecules 44(6):1707–1718, 2011.
    [PDF] (3.6 MB) [DOI]
  • Christian Holm, Nadezhda Gribova, Axel Arnold, Tanja Schilling.
    How close to two dimensions does a Lennard-Jones system need to be to produce a hexatic phase?
    The Journal of Chemical Physics 135:054514, 2011.
    [PDF] (419 KB) [DOI]
  • Bernward A. F. Mann, Olaf Lenz, Kurt Kremer, Christian Holm.
    Hydrogels in Poor Solvents: A Molecular Dynamics Study.
    Macromolecular Theory and Simulations 20(8):721–734, 2011.
    [PDF] (1.7 MB) [DOI]
  • Owen A. Hickey, Christian Holm, James L. Harden, Gary W. Slater.
    Influence of Charged Polymer Coatings on Electro-Osmotic Flow: Molecular Dynamics Simulations.
    Macromolecules 44:9455–9463, 2011.
    [PDF] (1.8 MB) [DOI]
  • Katharina Wendler, Stefan Zahn, Florian Dommert, Robert Berger, Christian Holm, Barbara Kirchner, Luigi Delle Site.
    Locality and Fluctuations: Trends in Imidazolium-Based Ionic Liquids and Beyond.
    Journal of Chemical Theory and Computation 7(10):3040–3044, 2011.
    [PDF] (1.0 MB) [DOI]
  • Sofia Kantorovich, Rudolf Weeber, Juan J. Cerdà, Christian Holm.
    Magnetic particles with shifted dipoles.
    Journal of Magnetism and Magnetic Materials 323(10):1269–1272, 2011.
    [PDF] (401 KB) [DOI]
  • Juan J. Cerdà, Christian Holm, Kurt Kremer.
    Novel Simulation Approaches for Polymeric and Soft Matter Systems.
    Macromolecular Theory and Simulations 20:444–445, 2011.
    [PDF] (88 KB) [DOI]
  • Juan J. Cerdà, Vincent Ballenegger, Christian Holm.
    Particle-particle particle-mesh method for dipolar interactions: On error estimates and efficiency of schemes with analytical differentiation and mesh interlacing.
    The Journal of Chemical Physics 135(18):184110, 2011.
    [PDF] (627 KB) [DOI]
  • Marco Klinkigt, Rudolf Weeber, Sofia Kantorovich, Christian Holm.
    System of particles with shifted magnetic dipoles.
    Magnetohydrodynamics 47(2):143–148, 2011.
    [PDF] (400 KB) [URL]
  • Fatemeh Tabatabaei, Olaf Lenz, Christian Holm.
    Simulational study of anomalous tracer diffusion in hydrogels.
    Colloid and Polymer Science 289:523–534, 2011.
    [PDF] (449 KB) [Preprint] [DOI]
  • Pedro A. Sánchez, Juan J. Cerdà, Vincent Ballenegger, Tomas Sintes, Oreste Piro, Christian Holm.
    Semiflexible magnetic filaments near attractive flat surfaces: a Langevin dynamics study.
    Soft Matter 7(5):1809–1818, 2011.
    [PDF] (648 KB) [DOI]
  • Elena Pyanzina, Sofia Kantorovich, Juan J. Cerdà, Christian Holm.
    Structure factor of ferrofluids with chain aggregates: Theory and computer simulations.
    Journal of Magnetism and Magnetic Materials 323(10):1263–1268, 2011.
    [PDF] (450 KB) [DOI]
  • Taisia Prokopyeva, Victor Danilov, Alla Dobroserdova, Sofia Kantorovich, Christian Holm.
    Ground state structures in ferrofluid monolayers.
    Journal of Magnetism and Magnetic Materials 323(10):1298–1301, 2011.
    [PDF] (459 KB) [DOI]
  • Stefan Kesselheim, Marcello Sega, Christian Holm.
    Applying ICC$^{\star}$ to DNA translocation. Effect of dielectric boundaries.
    Computer Physics Communications 182(1):33–35, 2011.
    [PDF] (197 KB) [DOI]
  • Sofia Kantorovich, Rudolf Weeber, Juan J. Cerdà, Christian Holm.
    Ferrofluids with shifted dipoles: ground state structures.
    Soft Matter 7(11):5217–5227, 2011.
    [PDF] (518 KB) [DOI]
  • Juan J. Cerda, Ekaterina Elfimova, Vincent Ballenegger, Ekaterina Krutikova, Alexey Ivanov, Christian Holm.
    Study of the structure factor anisotropy and long range correlations of ferrofluids in the dilute low-coupling regime.
    Journal of Magnetism and Magnetic Materials 323(10):1246–1253, 2011.
    [PDF] (431 KB) [DOI]
  • Vincent Ballenegger, Joan J. Cerdà, Christian Holm.
    Removal of spurious self-interactions in particle-mesh methods.
    Computer Physics Communications 182(9):1919–1923, 2011.
    [PDF] (208 KB) [DOI]


2010

  • Alexey Neelov, Christian Holm.
    Interlaced P3M algorithm with analytical and ik-differentiation.
    The Journal of Chemical Physics 132(23):234103, 2010.
    [PDF] (337 KB) [DOI]
  • Kai Grass, Christian Holm.
    Mesoscale modelling of polyelectrolyte electrophoresis.
    Faraday Discussions 144:57–70, 2010.
    [PDF] (984 KB) [DOI]
  • Han Wang, Florian Dommert, Christian Holm.
    Optimizing working parameters of the smooth particle mesh Ewald algorithm in terms of accuracy and efficiency.
    The Journal of Chemical Physics 133(3):034117, 2010.
    [PDF] (235 KB) [DOI]
  • Christian Krekeler, Florian Dommert, Jochen Schmidt, Yuan Yuan Zhao, Christian Holm, Robert Berger, Luigi Delle Site.
    Electrostatic properties of liquid 1,3-dimethylimidazolium chloride: role of local polarization and effect of the bulk.
    Physical Chemistry Chemical Physics 12(8):1817–1821, 2010.
    [PDF] (822 KB) [DOI]
  • Elena Minina, Sofia Kantorovich, Joan Cerda, Christian Holm.
    Bidisperse monolayers: Theory and computer simulations.
    Physics Procedia 9:87–90, 2010.
    [PDF] (462 KB) [DOI]
  • Sandeep Tyagi, Mehmet Süzen, Marcello Sega, Marcia C. Barbosa, Sofia S. Kantorovich, Christian Holm.
    An iterative, fast, linear-scaling method for computing induced charges on arbitrary dielectric boundaries.
    The Journal of Chemical Physics 132(15):154112, 2010.
    [PDF] (267 KB) [DOI]
  • Jochen Schmidt, Christian Krekeler, Florian Dommert, Yuanyuan Zhao, Robert Berger, Luigi Delle Site, Christian Holm.
    Ionic Charge Reduction and Atomic Partial Charges from First-Principles Calculations of 1,3-Dimethylimidazolium Chloride.
    The Journal of Physical Chemistry B 114(18):6150–6155, 2010.
    [PDF] (345 KB) [DOI]
  • Florian Dommert, Jochen Schmidt, Christian Krekeler, Yuan Yuan Zhao, Robert Berger, Luigi Delle Site, Christian Holm.
    Towards multiscale modeling of ionic liquids: From electronic structure to bulk properties.
    Journal of Molecular Liquids 152:2–8, 2010.
    [PDF] (990 KB) [DOI]
  • Han Wang, Florian Dommert, Christian Holm.
    Optimizing working parameters of the smooth particle mesh Ewald algorithm in terms of accuracy and efficiency.
    The Journal of Chemical Physics 133(3):034117, 2010.
    [PDF] (281 KB) [DOI]
  • Mehmet Sayar, Christian Holm.
    Equilibrium polyelectrolyte bundles with different multivalent counterion concentrations.
    Physical Review E 82(3):031901, 2010.
    [PDF] (374 KB) [DOI]
  • Baofu Qiao, Juan J. Cerdà, Christian Holm.
    Poly(styrenesulfonate)-Poly(diallyldimethylammonium) Mixtures: Toward the Understanding of Polyelectrolyte Complexes and Multilayers via Atomistic Simulations.
    Macromolecules 43(18):7828–7838, 2010.
    [PDF] (2.3 MB) [DOI]
  • Owen A. Hickey, Christian Holm, James L. Harden, Gary W. Slater.
    Implicit Method for Simulating Electrohydrodynamics of Polyelectrolytes.
    Physical Review Letters 105(14):148301, 2010.
    [PDF] (204 KB) [DOI]
  • Juan J. Cerdà, Ekaterina Elfimova, Vincent Ballenegger, Ekaterina Krutikova, Alexey Ivanov, Christian Holm.
    Behavior of bulky ferrofluids in the diluted low-coupling regime: Theory and simulation.
    Physical Review E 81:011501, 2010.
    [PDF] (375 KB) [DOI]


2009

  • Advanced Computer Simulation Approaches for Soft Matter Sciences III.
    Edited by Christian Holm, Kurt Kremer. Part of Advances in Polymer Science, volume 221.
    Springer, Berlin, 2009. ISBN: 978-3-540-87706-6.
    [PDF] (8.8 MB) [DOI]
  • Mehmet Süzen, Marcello Sega, Christian Holm.
    Ensemble inequivalence in single-molecule-experiments.
    Physical Review E 79(5):051118, 2009.
    [PDF] (269 KB) [DOI]
  • Elena Pyanzina, Sofia Kantorovich, Juan J. Cerdà, Alexey Ivanov, Christian Holm.
    How to analyse the structure factor in ferrofluids with strong magnetic interactions: a combined analytic and simulation approach.
    Molecular Physics 107(4-6):571–590, 2009.
    [PDF] (2.9 MB) [DOI]
  • Taisia Prokopieva, Victor Danilov, Sofia Kantorovich, Christian Holm.
    Ground state structures in ferrofluid monolayers.
    Physical Review E 80(3):031404, 2009.
    [PDF] (616 KB) [DOI]
  • Jens Smiatek, Marcello Sega, Christian Holm, Ulf D. Schiller, Friederike Schmid.
    Mesoscopic simulations of the counterion-induced electro-osmotic flow: A comparative study.
    The Journal of Chemical Physics 130(244702), 2009.
    [PDF] (370 KB) [DOI]
  • Gil C. Claudio, Kurt Kremer, Christian Holm.
    Comparison of a hydrogel model to the Poisson-Boltzmann cell model.
    The Journal of Chemical Physics 131(9):094903, 2009.
    [PDF] (453 KB) [DOI]
  • Juan J. Cerdà, Baofu Qiao, Christian Holm.
    Understanding polyelectrolyte multilayers: an open challenge for simulations.
    Soft Matter 5:4412–4425, 2009.
    [PDF] (1.7 MB) [DOI]
  • Juan J. Cerdà, Baofu Qiao, Christian Holm.
    Modeling strategies for polyelectrolyte multilayers.
    European Journal of Physics Special Topics 177(1):129–148, 2009.
    [PDF] (971 KB) [DOI]
  • Gary W. Slater, Christian Holm, Mykyta V. Chubynsky, Hendrick W. de Haan, Antoine Dube, Kai Grass, Owen A. Hickey, Christine Kingsburry, David Sean, Tyler N. Shendruk, Lixin Zhan.
    Modeling the separation of macromolecules: A review of current computer simulation methods.
    Electrophoresis 30(5):792–818, 2009.
    [PDF] (709 KB) [DOI]
  • Kai Grass, Christian Holm.
    Polyelectrolytes in electric fields: Measuring the dynamical effective charge and effective friction.
    Soft Matter 5:2079–2092, 2009.
    [PDF] (3.1 MB) [DOI]
  • Kai Grass, Christian Holm, Gary W. Slater.
    Optimizing end-labeled free-solution electrophoresis by increasing the hydrodynamic friction of the drag labels.
    Macromolecules 42(14):5352–5359, 2009.
    [PDF] (1.4 MB) [Preprint] [DOI]


2008

  • Christian Holm.
    Polyelectrolytes-Theory and Simulations.
    In Soft Matter Characterization, pages 287–333. Edited by Redouane Borsali, Robert Pecora.
    Springer Netherlands, Dordrecht, 2008. ISBN: 978-1-4020-4465-6.
    [PDF] (874 KB) [DOI]
  • Axel Arnold, Christian Holm.
    Interactions of like-charged rods at low temperatures: Analytical theory vs. simulations.
    European Physical Journal E 27(1):21–29, 2008.
    [PDF] (343 KB) [DOI]
  • Juan J. Cerdà, Sofia Kantorovich, Christian Holm.
    Aggregate formation in ferrofluid monolayers: simulations and theory.
    Journal of Physics: Condensed Matter 20(20):204125, 2008.
    [PDF] (342 KB) [DOI]
  • Juan J. Cerdà, Sofia Kantorovich, Christian Holm.
    Structure formation and phase behaviour in ferrofluid monolayers: theory and computer simulations.
    Proceedings in Applied Mathematics and Mechanics 7:4140021–4140022, 2007.
    [DOI]
  • Juan J. Cerdà, Sofia Kantorovich, Christian Holm.
    Effects of polidispersity in ferrofluid monolayers.
    unknown year.
    (coming soon)
  • Juan J. Cerdà, Vincent Ballenegger, Olaf Lenz, Christian Holm.
    P3M algorithm for dipolar interactions.
    The Journal of Chemical Physics 129:234104, 2008.
    [PDF] (516 KB) [Preprint] [DOI]
  • Juan J. Cerdà, Tomás Sintes, C. Holm, C. M. Sorensen, A. Chakrabarti.
    Shear effects on crystal nucleation in colloidal suspensions.
    Physical Review E 78(3):031403, 2008.
    [PDF] (1001 KB) [DOI]
  • Florian Dommert, Jochen Schmidt, Baofu Qiao, Yuanyuan Zhao, Christian Krekeler, Luigi Delle Site, Robert Berger, Christian Holm.
    A comparative study of two classical force fields on statics and dynamics of [EMIM][BF4] investigated via molecular dynamics simulations.
    The Journal of Chemical Physics 129(22):224501, 2008.
    [PDF] (642 KB) [DOI]
  • Burkhard Dünweg, Vladimir Lobaskin, Krishnan Seethalakshmy-Hariharan, Christian Holm.
    Colloidal electrophoresis: scaling analysis, Green-Kubo relation, and numerical results.
    Journal of Physics: Condensed Matter 20(40):404214, 2008.
    [PDF] (301 KB) [DOI]
  • Kai Grass, Ute Böhme, Ulrich Scheler, Hervé Cottet, Christian Holm.
    Importance of Hydrodynamic Shielding for the Dynamic Behavior of Short Polyelectrolyte Chains.
    Physical Review Letters 100(9):096104, 2008.
    [PDF] (115 KB) [DOI]
  • Kai Grass, Christian Holm.
    On the importance of hydrodynamic interactions in polyelectrolyte electrophoresis.
    Journal of Physics: Condensed Matter 20:494217, 2008.
    [PDF] (245 KB) [DOI]
  • Baofu Qiao, Christian Krekeler, Robert Berger, Luigi Delle Site, Christian Holm.
    Effect of Anions on Static Orientational Correlations, Hydrogen Bonds, and Dynamics in Ionic Liquids: A Simulational Study.
    The Journal of Physical Chemistry B 112(6):1743–1751, 2008.
    [PDF] (361 KB) [DOI]
  • Sofia Kantorovich, Juan J. Cerdà, Christian Holm.
    Microstructure analyisis of monodisperse ferrofluid monolayers: theory and simulation.
    Physical Chemistry Chemical Physics 10(14):1883–1895, 2008.
    [PDF] (1.3 MB) [DOI]
  • Christian Krekeler, Jochen Schmidt, Yuan Yuan Zhao, Baofu Qiao, Robert Berger, Christian Holm, Luigi Delle Site.
    Study of 1,3-dimethylimidazolium chloride with electronic structure methods and force field approaches.
    The Journal of Chemical Physics 129(17):174503, 2008.
    [PDF] (640 KB) [DOI]
  • Olaf Lenz, Christian Holm.
    Simulation of charge reversal in salty environments: Giant overcharging?
    European Physical Journal E 26:191–195, 2008.
    [PDF] (309 KB) [Preprint] [DOI]
  • Vincent Ballenegger, Joan J. Cerdà, Olaf Lenz, Christian Holm.
    The optimal P3M algorithm for computing electrostatic energies in periodic systems.
    The Journal of Chemical Physics 128(3):034109, 2008.
    [PDF] (426 KB) [Preprint] [DOI]
  • Sandeep Tyagi, Axel Arnold, Christian Holm.
    Electrostatic layer correction with image charges: A linear scaling method to treat slab 2D + h systems with dielectric interfaces.
    The Journal of Chemical Physics 129(20):204102, 2008.
    [PDF] (222 KB) [DOI]


2007

  • Sandeep Tyagi, Axel Arnold, Christian Holm.
    ICMMM2D: An accurate method to include planar dielectric interfaces via image charge summation.
    The Journal of Chemical Physics 127(15):154723, 2007.
    [PDF] (305 KB) [DOI]
  • Alexey O. Ivanov, Sofia S. Kantorovich, Evgeniy N. Reznikov, Christian Holm, Alexander F. Pshenichnikov, Alexander V. Lebedev, Alexandros Chremos, Philip J. Camp.
    Magnetic properties of polydisperse ferrofluids: A critical comparison between experiment, theory and computer simulation.
    Physical Review E 75(6):061405, 2007.
    [PDF] (339 KB) [DOI]
  • Alexey O. Ivanov, Sofia S. Kantorovich, Evgeniy N. Reznikov, Christian Holm, Alexander F. Pshenichnikov, Alexander V. Lebedev, Alexandros Chremos, Philip J. Camp.
    Magnetic measurements as a key for the particle size distribution in ferrofluids: experiment, theory, and computer simulations.
    Magnetohydrodynamics 43(4):393–400, 2007.
    [PDF] (9.3 MB)
  • Vladimir Lobaskin, Burkhard Dünweg, Martin Medebach, Thomas Palberg, Christian Holm.
    Electrophoresis of Colloidal Dispersions in the Low-Salt Regime.
    Physical Review Letters 98:176105, 2007.
    [PDF] (169 KB) [DOI]
  • Dmytro Antypov, Christian Holm.
    Osmotic Coefficient Calculations for Dilute Solutions of Short Stiff-Chain Polyelectrolytes.
    Macromolecules 40(3):731–738, 2007.
    [PDF] (182 KB) [DOI]
  • Berk Hess, Mehmet Sayar, Christian Holm.
    Stability of Hydrophobically Modified Poly(p-phenylene)sulfonate Bundles as Observed by Molecular Dynamics Simulation.
    Macromolecules 40(5):1703-1707, 2007.
    [PDF] (239 KB) [DOI]
  • M. Sayar, C. Holm.
    Finite Size Polyelectrolyte Bundles at Thermodynamic Equilibrium.
    Europhysics Letters 77:16001, 2007.
    [PDF] (328 KB) [Preprint] [DOI]


2006

  • Christian Holm, Alexey Ivanov, Sofia Kantorovich, Elena Pyanzina, Evgeniy Reznikov.
    Equilibrium properties of a bidisperse ferrofluid with chain aggregates: theory and computer simulations.
    Journal of Physics: Condensed Matter 18(38):S2737–S2756, 2006.
    [PDF] (1.0 MB) [DOI]
  • Christian Holm, Alexey Ivanov, Sofia Kantorovich, Elena Pyanzina.
    Polydispersity influence upon magnetic properties of aggregated ferrofluids.
    Zeitschrift für Physikalische Chemie 220:105–115, 2006.
    [PDF] (261 KB) [DOI]
  • Dmytro Antypov, Christan Holm.
    Optimal cell approach to osmotic properties of finite stiff-chain polyelectrolytes.
    Physical Review Letters 96:088302, 2006.
    [PDF] (163 KB) [DOI]
  • Dmytro Antypov, Christan Holm.
    The Osmotic Behavior of Short Stiff Polyelectrolytes.
    Macromolecular Symposia :297–306, 2006.
    [PDF] (162 KB) [DOI]
  • Axel Arnold, Bernward A. Mann, Christian Holm.
    Simulating Charged Systems with ESPResSo.
    In Computer Simulations in Condensed Matter: from Materials to Chemical Biology, pages 193–222. Edited by Mauro Ferrario, Giovanni Ciccotti, Kurt Binder. Part of Lecture Notes in Physics, volume 703.
    Springer, Berlin, Germany, 2006. ISBN: 3-540-35273-2.
    [PDF] (1.3 MB) [DOI]
  • Berk Hess, Christian Holm, Nico van der Vegt.
    Modeling multi-body effects in ionic solutions with a concentration dependent dielectric permittivity.
    Physical Review Letters 96:147801, 2006.
    [PDF] (115 KB) [DOI]
  • Berk Hess, Christian Holm, Nico van der Vegt.
    Osmotic Coeffcients of atomistic NaCl (aq) force-fields.
    The Journal of Chemical Physics 124:164509, 2006.
    [PDF] (354 KB) [DOI]
  • H. J. Limbach, A. Arnold, B. A. Mann, C. Holm.
    ESPResSo – An Extensible Simulation Package for Research on Soft Matter Systems.
    Computer Physics Communications 174(9):704–727, 2006.
    [PDF] (318 KB) [DOI]
  • Bernward Mann, Christian Holm, Kurt Kremer.
    The Swelling Behaviour of Charged Hydrogels.
    Macromolecular Symposia 237:90–107, 2006.
    [PDF] (563 KB) [DOI]
  • Frank Mühlbacher, Christian Holm, Helmut Schiessel.
    Controlled DNA compaction within chromatin: The tail-bridging effect.
    Europhysics Letters 73(1):135–141, 2006.
    [PDF] (273 KB) [DOI]
  • Frank Mühlbacher, Helmut Schiessel, Christian Holm.
    Tail-induced attraction between nucleosome core particles.
    Physical Review E 74:031919, 2006.
    [PDF] (811 KB) [DOI]
  • Mikhail R. Stukan, Vladimir A. Lobaskin, Christian Holm, Olga I. Vinogradova.
    Spatial distribution of polyelectrolyte and counterions in nanocapsules: A computer simulation study.
    Physical Review E 73:021801, 2006.
    [PDF] (616 KB) [DOI]


2005

  • Dmytro Antypov, Marcia C. Barbosa, Christian Holm.
    A simple non-local approach to treat size correlations within Poisson-Boltzmann theory.
    Physical Review E 71:061106, 2005.
    [PDF] (138 KB)
  • Axel Arnold, Christian Holm.
    Efficient methods to compute long range interactions for soft matter systems.
    In Advanced Computer Simulation Approaches for Soft Matter Sciences II, pages 59–109. Edited by C. Holm, K. Kremer. Part of Advances in Polymer Science.
    Springer, Berlin, 2005. ISBN: 9783540260912.
    [PDF] (1.1 MB) [DOI]
  • Axel Arnold, Christian Holm.
    MMM1D: A method for calculating electrostatic interactions in one-dimensional periodic geometries.
    The Journal of Chemical Physics 123(12):144103, 2005.
    [PDF] (122 KB) [DOI]
  • Christian Holm.
    The Physics of Overcharging.
    In Traffic and Granular Flow '03, pages 475–488. Edited by S. P. Hoogendoorn, S. Luding, P. H. L. Bovy, M. Schreckenberg, D. E. Wolf.
    Springer Berlin Heidelberg, 2005. ISBN: 978-3-540-25814-8.
    [PDF] (166 KB) [DOI]
  • Christian Holm, Jean-Jacque Weis.
    The Structure of Ferrofluids: A Status Report.
    Current Opinion in Colloid & Interface Science 10(3):133–140, 2005.
    [PDF] (166 KB) [DOI]
  • Advanced Computer Simulation Approaches for Soft Matter Sciences I.
    Edited by Christian Holm, Kurt Kremer. Part of Advances in Polymer Science, volume 173.
    Springer, Berlin, 2005. ISBN: 3-540-22058-5.
    [PDF] (4.5 MB) [DOI]
  • Advanced Computer Simulation Approaches for Soft Matter Sciences II.
    Edited by Christian Holm, Kurt Kremer. Part of Advances in Polymer Science, volume 185.
    Springer, Berlin, 2005. ISBN: 978-3-540-26091-2.
    [PDF] (3.6 MB) [DOI]
  • J. P. Huang, Z. W. Wang, C. Holm.
    Computer simulations of the structure of colloidal ferrofluids.
    Physical Review E 71(6):061203, 2005.
    [PDF] (1.1 MB) [DOI]
  • J. P. Huang, Z. Wang, C. Holm.
    Structure and magnetic properties of mono- and bi- dispersed ferrofluids as revealed by simulations.
    Journal of Magnetism and Magnetic Materials 289:234, 2005.
    [PDF] (113 KB) [DOI]
  • Hans Jörg Limbach, Kurt Kremer, Christian Holm.
    Computer Simulations of the “Hairy Rod” model.
    Macromolecular Chemistry and Physics 206:77–82, 2005.
    [PDF] (209 KB) [DOI]
  • Bernward A. Mann, Christian Holm, Kurt Kremer.
    Swelling of Polyelectrolyte Networks.
    The Journal of Chemical Physics 122(15):154903, 2005.
    [PDF] (811 KB) [DOI]


2004

  • Marcia C. Barbosa, Markus Deserno, Christian Holm, René Messina.
    Screening of spherical colloids beyond mean field: A local density functional approach.
    Physical Review E 69:051401, 2004.
    [PDF] (121 KB) [DOI]
  • Christian Holm.
    Efficient methods for long range interactions in periodic geometries plus one application.
    In Computational Soft Matter: From Synthetic Polymers to Proteins, pages 195–236. Edited by N. Attig, K. Binder, H. Grubmüller, K. Kremer. Part of NIC series, volume 23.
    Research Centre Jülich, 2004. ISBN: 3-00-012641-4.
    [PDF] (630 KB)
  • Christian Holm, Matthias Rehahn, Wilhelm Oppermann, Matthias Ballauff.
    Stiff-Chain Polyelectrolytes.
    In Polyelectrolytes with Defined Molecular Architecture II, pages 1–27. Edited by Manfred Schmidt. Part of Advances in Polymer Science, volume 166.
    Springer Berlin Heidelberg, 2004.
    [PDF] (530 KB) [DOI]
  • Christian Holm, Jean-François Joanny, Kurt Kremer, Roland R. Netz, Peter Reineker, Christian Seidel, Thomas A. Vilgis, Roland G. Winkler.
    Polyelectrolyte Theory.
    In Polyelectrolytes with Defined Molecular Architecture II, pages 67–111. Edited by Manfred Schmidt. Part of Advances in Polymer Science, volume 166.
    Springer Berlin Heidelberg, New York, 2004.
    [PDF] (935 KB) [DOI]
  • J. P. Huang, Christian Holm.
    Magnetization of polydisperse colloidal ferrofluids: Effect of magnetostriction.
    Physical Review E 70:061404, 2004.
    [PDF] (101 KB) [DOI]
  • Alexey O. Ivanov, Zuowei Wang, Christian Holm.
    Applying the Chain Formation Model to magnetic properties of aggregated ferrofluids.
    Physical Review E 69:031206, 2004.
    [PDF] (102 KB) [DOI]
  • Hans Jörg Limbach, Mehmet Sayar, Christian Holm.
    Polyelectrolyte Bundles.
    Journal of Physics: Condensed Matter 16(22):2135–2144, 2004.
    [PDF] (262 KB) [Preprint] [DOI]
  • Hans Jörg Limbach, Christian Holm.
    Conformations and Solution Structure of Polyelectrolytes in Poor Solvent.
    In Polyelectrolytes. Edited by U. Scheler. Part of Dresdener Polymer Discussions 2003, volume 9.
    Wiley-VCH, Dresden, Germany, 2004.
    [DOI]
  • Vladimir Lobaskin, Burkhard Dünweg, Christian Holm.
    Electrophoretic mobility of a charged colloidal particle: A computer simulation study.
    Journal of Physics: Condensed Matter 16(38):S4063–S4073, 2004.
    [PDF] (312 KB) [Preprint] [DOI]
  • Bernward A. Mann, Ralf Everaers, Christian Holm, Kurt Kremer.
    Scaling in polyelectrolyte networks.
    Europhysics Letters 67(5):786–792, 2004.
    [PDF] (261 KB) [DOI]
  • René Messina, Christian Holm, Kurt Kremer.
    Polyelectrolyte Adsorption and Multilayering on Charged Colloidal particles.
    Journal of Polymer Science, Part B: Polymer Physics 42:3557, 2004.
    [PDF] (620 KB) [DOI]
  • Ali Naji, Axel Arnold, Christian Holm, Roland R. Netz.
    Attraction and unbinding of like–charged rods.
    Europhysics Letters 67:130–136, 2004.
    [PDF] (142 KB) [DOI]


2003

  • Axel Arnold, Bernward A. Mann, Hans Jörg Limbach, Christian Holm.
    ESPResSo – An Extensible Simulation Package for Research on Soft Matter Systems.
    In Forschung und wissenschaftliches Rechnen 2003.
    Gesellschaft für wissenschaftliche Datenverarbeitung mbH, unknown year.
    [PDF] (393 KB) [URL]
  • Markus Deserno, Axel Arnold, Christian Holm.
    Attraction and ionic correlations between charged stiff polyelectrolytes.
    Macromolecules 36(1):249–259, 2003.
    [PDF] (203 KB) [Preprint] [DOI]
  • Christian Holm, Hans Jörg Limbach, Kurt Kremer.
    Poor-solvent polyelectrolytes.
    Journal of Physics: Condensed Matter 15(1):S205–S211, 2003.
    [PDF] (262 KB) [DOI]
  • Felipe Jiménez-Ángeles, René Messina, Christian Holm, Marcelo Lozada-Cassou.
    Ion pairing in model electrolytes: A study via three-particle correlation functions.
    The Journal of Chemical Physics 119(9):4842-4856, 2003.
    [PDF] (522 KB) [Preprint] [DOI]
  • Hans Jörg Limbach, Christian Holm.
    Single-Chain Properties of Polyelectrolytes in Poor Solvent.
    Journal of Physical Chemistry B 107(32):8041–8055, 2003.
    [PDF] (403 KB) [DOI]
  • René Messina, Christian Holm, Kurt Kremer.
    Polyelectrolyte Multilayering in Spherical Geometry.
    Langmuir 19:4473–4482, 2003.
    [PDF] (963 KB) [Preprint]
  • Zuowei Wang, Christian Holm, Hanns Walter Müller.
    Boundary condition effects in the simulation study of equilibrium properties of magnetic dipolar fluids.
    The Journal of Chemical Physics 119:379, 2003.
    [PDF] (175 KB) [DOI]
  • Zuowei Wang, Christian Holm, Hanns Walter Müller.
    Computer simulation study of equilibrium properties of magnetic dipolar fluids.
    Magnetohydrodynamics 39(1):59–64, 2003.
  • Zuowei Wang, Christian Holm.
    Structure and magnetization properties of polydispersed ferrofluids: A molecular dynamics study.
    Physical Review E 68(4):041401, 2003.
    [PDF] (419 KB) [DOI]


2002

  • Axel Arnold, Christian Holm.
    MMM2D: A fast and accurate summation method for electrostatic interactions in 2D slab geometries.
    Computer Physics Communications 148(3):327–348, 2002.
    [PDF] (2.8 MB) [Preprint] [DOI]
  • Axel Arnold, Christian Holm.
    A novel method for calculating electrostatic interactions in 2D periodic slab geometries.
    Chemical Physics Letters 354(3–4):324–330, 2002.
    [PDF] (425 KB) [DOI]
  • Axel Arnold, Jason de Joannis, Christian Holm.
    Electrostatics in Periodic Slab Geometries. I.
    The Journal of Chemical Physics 117:2496–2502, 2002.
    [PDF] (217 KB) [Preprint] [DOI]
  • Jason de Joannis, Axel Arnold, Christian Holm.
    Electrostatics in Periodic Slab Geometries. II.
    The Journal of Chemical Physics 117:2503–2512, 2002.
    [PDF] (267 KB) [Preprint] [DOI]
  • Markus Deserno, Christian Holm.
    Theory and simulations of rigid polyelectrolytes.
    Molecular Physics 100(18):2941–2956, 2002.
    [Preprint] [DOI]
  • Christian Holm, Kurt Kremer, Markus Deserno, Hans Jörg Limbach.
    Computer Modeling of Charged Polymers.
    In NIC Symposium 2001, pages 385–395. Edited by H. Rollnik, D. Wolf. Part of NIC Series, Vol. 9, volume 9.
    John von Neumann Institute for Computing, Jülich, Germany, 2002. ISBN: 3-00-009055-X.
    [PDF] (668 KB)
  • Hans Jörg Limbach, Christian Holm.
    Conformational properties of poor solvent polyelectrolytes.
    Computer Physics Communications 147:321–324, 2002.
    [Preprint] [DOI]
  • Hans Jörg Limbach, Christian Holm, Kurt Kremer.
    Structure of polyelectrolytes in poor solvent.
    Europhysics Letters 60(4):566–572, 2002.
    [PDF] (168 KB) [Preprint] [DOI]
  • Hans Jörg Limbach, Christian Holm.
    Conformational properties of poor solvent polyelectrolytes.
    Computer Physics Communications 147(1-2):321–324, 2002.
    Proceedings of the Europhysics Conference on Computational Physics Computational Modeling and Simulation of Complex Systems
    [PDF] (90 KB) [DOI]
  • René Messina, Christian Holm, Kurt Kremer.
    Conformation of a Polyelectrolyte Complexed to a Like-Charged Colloid.
    Physical Review E 65:041805, 2002.
    [PDF] (163 KB) [Preprint] [DOI]
  • René Messina, Christian Holm, Kurt Kremer.
    Like-charge colloid-polyelectrolyte complexation.
    The Journal of Chemical Physics 117:2947, 2002.
    [Preprint] [DOI]
  • René Messina, Enrique González Tovar, Marcelo Lozada-Cassou, Christian Holm.
    Overcharging: The Crucial Role of Excluded Volume.
    Europhysics Letters 60:383–389, 2002.
    [PDF] (148 KB) [Preprint] [DOI]
  • René Messina, Christian Holm, Kurt Kremer.
    Charge inversion in colloidal systems.
    Computer Physics Communications 147:282–285, 2002.
    [Preprint] [DOI]
  • Zuowei Wang, Christian Holm, Hanns Walter Müller.
    Molecular dynamics study on the equilibrium magnetization properties and structure of ferrofluids.
    Physical Review E 66(2):021405, 2002.
    [PDF] (849 KB) [Preprint] [DOI]


2001

  • Markus Deserno, Christian Holm, Kurt Kremer.
    Molecular dynamics simulations of the cylindrical cell model.
    In Physical Chemistry of Polyelectrolytes, chapter 2, pages 59–110. Edited by T. Radeva. Part of Surfactant science series, volume 99.
    Marcel Decker, New York, 2001.
  • Markus Deserno, Christian Holm, Jürgen Blaul, Matthias Ballauff, Matthias Rehahn.
    The Osmotic Coefficient of Rod-like Polyelectrolytes: Computer Simulation, Analytical Theory, and Experiment.
    European Physical Journal E 5:97–103, 2001.
    [PDF] (147 KB) [DOI]
  • Markus Deserno, Felipe Jiménez-Ángeles, Christian Holm, Marcelo Lozada-Cassou.
    Overcharging of DNA in the presence of salt: Theory and Simulation.
    The Journal of Physical Chemistry B 105(44):10983–10991, 2001.
    [PDF] (143 KB) [Preprint] [DOI]
  • Markus Deserno, Christian Holm.
    Cell-model and Poisson-Boltzmann-theory: A brief introduction.
    In Electrostatic Effects in Soft Matter and Biophysics, pages 27–50. Edited by C. Holm, P. Kékicheff, R. Podgornik. Part of NATO Science Series II - Mathematics, Physics and Chemistry, volume 46.
    Kluwer Academic Publishers, Dordrecht, Nl, 2001.
    [PDF] (262 KB) [DOI]
  • Electrostatic Effects in Soft Matter and Biophysics.
    Edited by Christian Holm, Patrick Kékicheff, Rudolf Podgornik. Part of NATO Science Series II - Mathematics, Physics and Chemistry, volume 46.
    Kluwer Academic Publishers, Dordrecht, Netherlands, 2001. ISBN: 1-4020-0197-5.
    [DOI]
  • Christian Holm, Kurt Kremer.
    Computer Simulations of Charged Systems.
    In Electrostatic Effects in Soft Matter and Biophysics. Edited by C. Holm, P. Kékicheff, R. Podgornik. Part of NATO Science Series II - Mathematics, Physics and Chemistry, volume 46.
    Kluwer Academic Publishers, Dordrecht, Nl, 2001.
    [DOI]
  • Christian Holm.
    What can Ising spins teach us about Quantum Gravity?
    In Fluctuating Paths and Fields, pages 707–720. Edited by A. Pelster, M. Bachmann, W. Janke.
    World Scientific, Singapore, 2001.
    [DOI]
  • Hans Jörg Limbach, Christian Holm.
    End-effects of strongly charged polyelectrolytes - a molecular dynamics study.
    The Journal of Chemical Physics 114(21):9674–9682, 2001.
    [DOI]
  • René Messina, Christian Holm, Kurt Kremer.
    Effect of colloidal charge discretization in the primitive model.
    European Physical Journal E 4:363–370, 2001.
    [PDF] (250 KB) [Preprint] [DOI]
  • René Messina, Christian Holm, Kurt Kremer.
    Strong electrostatic interactions in spherical collidal systems.
    Physical Review E 64:021405, 2001.
    [PDF] (1.0 MB) [Preprint] [DOI]
  • Zuowei Wang, Christian Holm.
    Estimate of the Cutoff Errors in the Ewald Summation for Dipolar Systems.
    The Journal of Chemical Physics 115:6351–6359, 2001.
    [PDF] (1.3 MB) [DOI]


2000

  • Marcia C. Barbosa, Markus Deserno, Christian Holm.
    A stable local density functional approach to ion-ion correlations.
    Europhysics Letters 52(1):80–86, 2000.
    [PDF] (147 KB) [Preprint] [DOI]
  • Markus Deserno, Christian Holm, Sylvio May.
    Fraction of Condensed Counterions around a Charged Rod: Comparison of Poisson-Boltzmann Theory and Computer Simulations.
    Macromolecules 33:199–206, 2000.
    [PDF] (98 KB) [Preprint] [DOI]
  • Markus Deserno, Christian Holm, Hans Jörg Limbach.
    How to mesh up Ewald sums.
    In Molecular Dynamics on Parallel Computers, pages 319–320. Edited by R. Esser, P. Grassberger, J. Grotendorst, M. Lewerenz.
    World Scientific, Singapore, 2000.
    [DOI]
  • René Messina, Christian Holm, Kurt Kremer.
    Strong attraction between charged spheres due to metastable ionized states.
    Physical Review Letters 85:872–875, 2000.
    [PDF] (155 KB) [DOI]
  • René Messina, Christian Holm, Kurt Kremer.
    Ground state of two unlike charged colloids: An anology with ionic bonding.
    Europhysics Letters 51:461–467, 2000.
    [PDF] (246 KB) [DOI]


1999

  • Christian Holm, Kurt Kremer.
    Polyelectrolytes in Solution - Recent Computer Simulations.
    In Proceedings of Yamada Conference “Polyelectrolytes”, Inuyama, Japan, pages 27–36. Edited by I. Noda, E. Kokufuta.
    Yamada Science Foundation, Osaka, Japan, 1999.
    [PDF] (214 KB) [Preprint]
  • Christian Holm, Wolfhard Janke.
    Simplicial Quantum Gravity on a Randomly Triangulated Sphere.
    International Journal of Modern Physics A 14(24):3885–3903, 1999.
    [DOI]
  • Elmar Bittner, A. Hauke, Harald Markum, J. Riedler, Christian Holm, Wolfhard Janke.
    Lattice Models of 2D-Quantum Gravity.
    In Proceedings of the Eigth Marcel Grossmann Meeting, pages 769. Edited by Tsvi Piran, Remo Ruffini.
    World Scientific Publishers, The Hebrew University, Jerusalem, Israel, June 22 - 27, 1997, 1999.
  • Elmar Bittner, A. Hauke, Christian Holm, Wolfhard Janke, Harald Markum, J. Riedler.
    Z2-Regge versus Standard Regge Calculus in Two Dimensions.
    Physical Review D 59(12):124018, 1999.
    [PDF] (208 KB) [DOI]
  • Uwe Micka, Christian Holm, Kurt Kremer.
    Strongly Charged, Flexible Polyelectrolytes in Poor Solvents - A Molecular Dynamics Study.
    Langmuir 15(12):4033-4044, 1999.
    [PDF] (1.2 MB) [Preprint] [DOI]


1998 and before

  • Christian Holm.
    Anwendung von FFT Ewald Gitter-Methoden in Simulationen von Polyelektrolyten.
    In Höchstleistungsrechnen in der Chemie, pages 67–69. Edited by R. Esser, J. Grotendorst, M. Lewerenz.
    Research Center Jülich, Jülich, 1998.
  • Christian Holm, Kurt Kremer, Thomas A. Vilgis.
    Polyelektrolyte: Grundlegende Probleme bei der Beschreibung weitverbreiteter Substanzen.
    Physikalische Blätter 54(11):1013–1016, 1998.
    [PDF] (1.7 MB) [DOI]
  • Elmar Bittner, A. Hauke, Christian Holm, Wolfhard Janke, Harald Markum, J. Riedler.
    Standard and Z2-Regge Theory in two Dimensions.
    Nuclear Physics B: Proceedings Supplements 63(1):769-771, 1998.
    [PDF] (221 KB) [DOI]
  • Elmar Bittner, A. Hauke, Christian Holm, Wolfhard Janke, Harald Markum, J. Riedler.
    Lattice Models of Quantum Gravity.
    In Frontiers in Quantum Physics, pages 303. Edited by S. C. Lim, R. Abd-Shukor, K. H. Kwek.
    Springer, Berlin, 1998.
    [PDF] (117 KB)
  • Markus Deserno, Christian Holm.
    How to mesh up Ewald sums. I. A theoretical and numerical comparison of various particle mesh routines.
    The Journal of Chemical Physics 109:7678, 1998.
    [PDF] (307 KB) [DOI]
  • Markus Deserno, Christian Holm.
    How to mesh up Ewald sums. II. An accurate error estimate for the Particle–Particle–Particle-Mesh algorithm.
    The Journal of Chemical Physics 109:7694, 1998.
    [PDF] (200 KB) [DOI]
  • Christian Holm, Wolfhard Janke.
    Critical Exponents of the Classical Heisenberg Ferromagnet.
    Physical Review Letters 78(11):2265, 1997.
    FUB-HEP-96-8
    [PDF] (53 KB) [DOI]
  • Christian Holm, Wolfhard Janke.
    Fixed Versus Random Triangulations in 2D Regge Calculus.
    Physics Letters B 390(1):59–63, 1997.
    FUB-HEP-96-10
    [PDF] (394 KB) [DOI]
  • Christian Holm.
    Influence of the Path Integral Measure in Quantum Gravity.
    In Functional Integration: Basics and Applications, pages 417. Edited by C. DeWitt-Morette, P. Cartier, A. Folacci. Part of NATO ASI Series B: Physics Vol. 361.
    Plenum, New York, 1997. ISBN: 978-1-4899-0321-1.
    [DOI]
  • Christian Holm, Wolfhard Janke, Tetsuo Matsui, Kazuhiko Sakakibara.
    Monte Carlo Study of Asymmetric 2D XY Model.
    Physica A: Statistical Mechanics and its Applications 246(3):633–645, 1997.
    [PDF] (598 KB) [DOI]
  • Christian Holm, Wolfhard Janke.
    Measuring the String Susceptibility in 2D Simplicial Quantum Gravity Using the Regge Approach.
    Nuclear Physics B 477(2):465–488, 1996.
    FUB-HEP 17/95
    [PDF] (1.2 MB) [DOI]
  • Christian Holm, Wolfhard Janke.
    Ising Spins on a Gravitating Sphere.
    Physics Letters B 375(1):69–74, 1996.
    FUB-HEP 18/95
    [PDF] (508 KB) [DOI]
  • Christian Holm.
    2D Non-Perturbative Euclidean Quantum Gravity via Regge Calculus.
    1996.
    unpublished
  • Christian Holm, Wolfhard Janke.
    New Results on $\gamma_{\mathrm{str}}$ in 2D Quantum Gravity using Regge Calculus.
    Nuclear Physics B: Proceedings Supplements 47(1):621–624, 1996.
    [PDF] (315 KB) [DOI]
  • Christian Holm, Wolfhard Janke.
    Measure Dependence of 2D Simplicial Quantum Gravity.
    Nuclear Physics B: Proceedings Supplements 42(1):722–724, 1995.
    FUB-HEP 20/94
    [PDF] (215 KB) [DOI]
  • Christian Holm, Wolfhard Janke.
    The Ising Transition in 2D Simplicial Quantum Gravity – Can Regge Calculus be Right?
    Nuclear Physics B: Proceedings Supplements 42(1):725–727, 1995.
    FUB-HEP 19/94
    [PDF] (236 KB) [DOI]
  • Christian Holm, Wolfhard Janke.
    Monte Carlo study of topological defects in the 3D Heisenberg model.
    Journal of Physics A: Mathematical and General 27(7):2553–2563, 1994.
    FUB-HEP 10/93
    [PDF] (504 KB) [DOI]
  • Christian Holm, Wolfhard Janke.
    The critical behaviour of Ising spins on 2D Regge lattices.
    Physics Letters B 335(2):143–150, 1994.
    [PDF] (450 KB) [DOI]
  • Christian Holm, Wolfhard Janke.
    High Pecision Monte Carlo Determination of $\alpha/\nu$ in the 3D Classical Heisenberg Model.
    International Journal of Modern Physics C 5(2):267–270, 1994.
    [DOI]
  • Christian Holm, Wolfhard Janke.
    Are defects important for 3D phase transitions?
    Nuclear Physics B: Proceedings Supplements 34:692–694, 1994.
    [PDF] (241 KB) [DOI]
  • Christian Holm, Wolfhard Janke.
    High Precision Single-Cluster MC Measurement of the Critical Exponents of the Classical 3D Heisenberg Model.
    Nuclear Physics B: Proceedings Supplements 30:846–849, 1993.
    [PDF] (321 KB) [DOI]
  • Christian Holm, Wolfhard Janke.
    Finite-size scaling study of the three-dimensional classical Heisenberg model.
    Physics Letters A 173(1):8–12, 1993.
    [PDF] (354 KB) [DOI]
  • Christian Holm, Wolfhard Janke.
    Critical exponents of the classical three-dimensional Heisenberg model: A single-cluster Monte Carlo study.
    Physical Review B 48(2):936–950, 1993.
    [PDF] (2.4 MB) [DOI]
  • Joan Adler, Christian Holm, Wolfhard Janke.
    High-Temperature Series Analysis of the Classical Heisenberg and XY Model.
    Physica A 201(4):581–592, 1993.
    [PDF] (969 KB) [DOI]
  • Christian Holm, Jörg D. Hennig.
    A Poincaré Gauge Theory on Regge Simplexes.
    In Classical and Quantum Systems- Foundations and Symmetries, Proceedings of the II. International Wigner Symposium, pages 723–726. Edited by H. D. Doebner, W. Scherer, F. Schroeck Jr..
    World Scientific, 1991.
    [PDF] (31 MB)
  • Christian Holm, Jörg D. Hennig.
    Regge Calculus with Torsion.
    In Group Theoretical Methods in Physics, pages 556–560. Edited by V. V. Dodonov, V. I. Man'ko. Part of Lecture Notes in Physics, volume 382.
    Springer, Berlin, Germany, 1991. ISBN: 978-3-540-47363-3.
    [PDF] (587 KB) [DOI]
  • Christian Holm.
    Differential Geometry, Gauge Theories, and Gravity.
    1990.
    book review
  • Christian Holm.
    Connections in Bergmann Manifolds.
    International Journal of Theoretical Physics 29(1):23–36, 1990.
    [PDF] (726 KB) [DOI]
  • David Finkelstein, Christian Holm.
    Neutrino-Neutrino Scattering in Quantum Network Dynamics.
    Bulletin of the American Physical Society 34:114, 1989.
  • Christian Holm.
    The Hyperspin Structure of Unitary Groups.
    Journal of Mathematical Physics 29(4):978–986, 1988.
    [PDF] (1.2 MB) [DOI]
  • Christian Holm.
    Erratum: The hyperspin structure of unitary groups [J. Math. Phys. 29, 978 (1988)].
    Journal of Mathematical Physics 30:2451, 1989.
    [PDF] (544 KB) [DOI]
  • Christian Holm.
    Neutrino Spectrum of Einstein Universes.
    Journal of Mathematical Physics 29(10):2273–2279, 1988.
    [PDF] (1015 KB) [DOI]
  • Christian Holm.
    The Hyperspin Structure of Einstein Universes and Their Neutrino Spectrum.
    PhD thesis, Georgia Institute of Technology, 1987.
  • David Finkelstein, Shlomit Ritz Finkelstein, Christian Holm.
    Hypergravitational Field Equations.
    Physical Review Letters 59(12):1265–1266, 1987.
    [PDF] (95 KB) [DOI]
  • Christian Holm.
    Christoffel Formula and Geodesic Motion in Hyperspin Manifolds.
    International Journal of Theoretical Physics 25(11):1209–1213, 1986.
    [PDF] (574 KB) [DOI]
  • John Eidson, Sarah Flynn, Christian Holm, D. Weeks, Ronald F. Fox.
    Elementary Explanation of Boundary Shading in Chaotic-Attractor Plots for the Feigenbaum Map and the Circle Map.
    Physical Review A 33(4):2809–2812, 1986.
    [PDF] (2.0 MB) [DOI]
  • David Finkelstein, Shlomit Ritz Finkelstein, Christian Holm.
    Hyperspin Manifolds.
    International Journal of Theoretical Physics 25(4):441–463, 1986.
    [PDF] (3.2 MB) [DOI]
  • Christian Holm.
    Spinors in Discrete Space-Time.
    Master's thesis, Georgia Institute of Technology, feb, 1985.
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