Difference between revisions of "Jonas Landsgesell"
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Jonas Landsgesell
PhD
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==Publications == | ==Publications == | ||
<bibentry pdflink="yes"> | <bibentry pdflink="yes"> | ||
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tagliabue21a | tagliabue21a | ||
rud21a | rud21a | ||
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A minimal working example of the [https://pubs.acs.org/doi/10.1021/acs.macromol.0c00260 grand-reaction method] can be found here: | A minimal working example of the [https://pubs.acs.org/doi/10.1021/acs.macromol.0c00260 grand-reaction method] can be found here: | ||
[[File:Minimal working example grand reaction method.zip]] | [[File:Minimal working example grand reaction method.zip]] | ||
| + | |||
| + | === Ideal Donnan Partitioning === | ||
| + | An example solution using sympy can be found here [[File:Ideal donnan partitioning.zip]] | ||
== Master Thesis == | == Master Thesis == | ||
Latest revision as of 20:06, 29 May 2022
As Jonas Landsgesell is not a member of our working group anymore, the information on this page might be outdated.
PhD
| Office: | 1.084 |
|---|---|
| Phone: | +49 711 685-67718 |
| Fax: | +49 711 685-63658 |
| Email: | jlandsgesell _at_ icp.uni-stuttgart.de |
| Address: | Jonas Landsgesell Institute for Computational Physics Universität Stuttgart Allmandring 3 70569 Stuttgart Germany |
Publications
-
Landsgesell, Jonas and Beyer, David and Hebbeker, Pascal and Košovan, Peter and Holm, Christian.
"The pH-Dependent Swelling of Weak Polyelectrolyte Hydrogels Modeled at Different Levels of Resolution".
Macromolecules 55(8)(3176-3188), 2022.
[PDF] (4 MB) [DOI] -
Tagliabue, Andrea and Landsgesell, Jonas and Mella, Massimo and Holm, Christian.
"Can oppositely charged polyelectrolyte stars form a gel? A simulational study".
Soft Matter 17(1574-1588), 2021.
[PDF] (6 MB) [DOI] -
Oleg V. Rud and Jonas Landsgesell and Christian Holm and Peter Košovan.
"Modeling of weak polyelectrolyte hydrogels under compression, Implications for water desalination".
Desalination 506(114995), 2021.
[DOI] -
Landsgesell, Jonas and Rud, Oleg and Hebbeker, Pascal and Lunkad, Raju and Košovan, Peter and Holm, Christian.
"Grand-reaction method for simulations of ionization equilibria and ion partitioning in a broad range of pH and ionic strength.".
ChemRxiv preprint , 2019.
[DOI] -
Landsgesell, Jonas and Holm, Christian.
"Cell Model Approaches for Predicting the Swelling and Mechanical Properties of Polyelectrolyte Gels".
Macromolecules 52(23)(9341-9353), 2019.
[PDF] (3 MB) [DOI] -
L. Arens and D. Barther and J. Landsgesell and C. Holm and M. Wilhelm.
"Poly(sodium acrylate) hydrogels: synthesis of various network architectures, local molecular dynamics, salt partitioning, desalination and simulation".
Soft Matter 15(9949–9964), 2019.
[PDF] (6 MB) [DOI] -
Landsgesell, Jonas and Sean, David and Kreissl, Patrick and Szuttor, Kai and Holm, Christian.
"Modeling Gel Swelling Equilibrium in the Mean Field: From Explicit to Poisson-Boltzmann Models".
Physical Review Letters 122(208002), 2019.
[PDF] (500 KB) [DOI] -
Landsgesell, Jonas and Nova, Lucie and Rud, Oleg and Uhlik, Filip and Sean, David and Hebbeker, Pascal and Holm, Christian and Košovan, Peter.
"Simulations of ionization equilibria in weak polyelectrolyte solutions and gels".
Soft Matter 15(6)(1155-1185), 2019.
[PDF] (7 MB) [DOI] -
Weik, Florian and Szuttor, Kai and Landsgesell, Jonas and Holm, Christian.
"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] -
Sean, David and Landsgesell, Jonas and Holm, Christian.
"Influence of weak groups on polyelectrolyte mobilities".
Electrophoresis 40(5)(799–809), 2019.
[PDF] (994 KB) [DOI] -
Weik, Florian and Weeber, Rudolf and Szuttor, Kai and Breitsprecher, Konrad and de Graaf, Joost and Kuron, Michael and Landsgesell, Jonas and Menke, Henri and Sean, David and Holm, Christian.
"ESPResSo 4.0 – an extensible software package for simulating soft matter systems".
European Physical Journal Special Topics 227(14)(1789–1816), 2019.
[PDF] (2 MB) [DOI] -
David Sean and Jonas Landsgesell and Christian Holm.
"Computer Simulations of Static and Dynamical Properties of Weak Polyelectrolyte Nanogels in Salty Solutions".
Gels 4(2)(2), 2018.
[PDF] (976 KB) [DOI] -
Tobias Richter and Jonas Landsgesell and Peter Košovan and Christian Holm.
"On the efficiency of a hydrogel-based desalination cycle".
Desalination 414(28–34), 2017.
[PDF] (2 MB) [DOI] [URL] -
Landsgesell, Jonas and Holm, Christian and Smiatek, Jens.
"Simulation of weak polyelectrolytes: A comparison between the constant pH and the reaction ensemble method".
European Physical Journal Special Topics 226(725–736), 2017.
[PDF] (287 KB) [DOI] -
Landsgesell, Jonas and Holm, Christian and Smiatek, Jens.
"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] (3 MB) [DOI]
PhD Thesis
Title: Simulation and Modeling of Polymer Gels: https://elib.uni-stuttgart.de/bitstream/11682/10848/1/thesis_pdfa.pdf
Grand-Reaction method
A minimal working example of the grand-reaction method can be found here: File:Minimal working example grand reaction method.zip
Ideal Donnan Partitioning
An example solution using sympy can be found here File:Ideal donnan partitioning.zip
Master Thesis
Title: Titration of Weak Polyelectrolytes using the Wang-Landau and the Reaction Ensemble method.
Bachelor Thesis
Title: Free energy decomposition methods are applied to investigate the entropic contributions of water to the folding of beta hairpins.
Previous Activities
- VMD plugin for displaying h5md files
- File:Remark on partial derivatives.pdf