Difference between revisions of "Jonas Landsgesell"
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Jonas Landsgesell
PhD student
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| + | == PhD Thesis == | ||
| + | Title: Simulation and Modeling of Polymer Gels | ||
| + | [[File:Schematic 4.svg|thumb|none|150px|Schematic of the i) periodic gel model, the ii) single chain cell gel model (CGM) and the iii) Poisson-Boltzmann CGM.]] | ||
== Master Thesis == | == Master Thesis == | ||
| − | Titration of Weak Polyelectrolytes using the Wang-Landau and the Reaction Ensemble method. | + | Title: Titration of Weak Polyelectrolytes using the Wang-Landau and the Reaction Ensemble method. |
| − | [[File:Free polymer titration curve from partition function different bjerrum lengths.eps.png|thumb|Titration curves at different Bjerrum lengths]] | + | [[File:Free polymer titration curve from partition function different bjerrum lengths.eps.png|thumb|none|Titration curves at different Bjerrum lengths]] |
== Bachelor Thesis == | == Bachelor Thesis == | ||
| − | + | Title: Free energy decomposition methods are applied to investigate the entropic contributions of water to the folding of beta hairpins. | |
| − | Free energy decomposition methods are applied to investigate the entropic contributions of water to the folding of beta hairpins. | + | [[File:Beta hairpin in water GROMACS.png|thumb|none| Beta hairpin in water]] |
== Previous Activities == | == Previous Activities == | ||
* [https://github.com/h5md/VMD-h5mdplugin VMD plugin] for displaying [http://nongnu.org/h5md h5md files] | * [https://github.com/h5md/VMD-h5mdplugin VMD plugin] for displaying [http://nongnu.org/h5md h5md files] | ||
* [[File:Remark on partial derivatives.pdf]] | * [[File:Remark on partial derivatives.pdf]] | ||
Revision as of 14:16, 30 August 2019
PhD student
| 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
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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] -
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] -
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] -
David Sean, Jonas Landsgesell, Christian Holm.
Influence of weak groups on polyelectrolyte mobilities.
Electrophoresis 40(5):799–809, 2019.
[PDF] (994 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] -
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] -
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] -
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]
PhD Thesis
Title: Simulation and Modeling of Polymer Gels
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