Difference between revisions of "Jonas Landsgesell"
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Jonas Landsgesell
PhD
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{{Person | {{Person | ||
|name=Landsgesell, Jonas | |name=Landsgesell, Jonas | ||
| − | |status=PhD | + | |status=PhD |
|email=jlandsgesell | |email=jlandsgesell | ||
| − | + | |category=former | |
| − | |category= | + | |image=Jonas Landsgesell.jpg |
| − | |image= | + | |
| − | |topical | + | |topical=gel |
| − | |||
}} | }} | ||
==Publications == | ==Publications == | ||
| − | : | + | [[File:Mamo cover vol55 no8.jpg|thumb|none|350px|Front cover of [https://pubs.acs.org/toc/mamobx/55/8 Macromolecules, Vol 55, No 8, 2022.]]] |
| − | : | + | <bibentry pdflink="yes"> |
| − | : | + | landsgesell22a |
| − | : | + | tagliabue21a |
| − | + | rud21a | |
| − | : | + | landsgesell19d-pre |
| + | landsgesell19c | ||
| + | arens19a | ||
| + | landsgesell19b | ||
| + | landsgesell19a | ||
| + | weik19b | ||
| + | sean19a | ||
| + | weik19a | ||
| + | sean17a | ||
| + | richter17a | ||
| + | landsgesell17b | ||
| + | landsgesell17a | ||
| + | </bibentry> | ||
| + | |||
| + | == PhD Thesis == | ||
| + | Title: Simulation and Modeling of Polymer Gels: https://elib.uni-stuttgart.de/bitstream/11682/10848/1/thesis_pdfa.pdf | ||
| + | |||
| + | [[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.]] | ||
| + | |||
| + | === Grand-Reaction method=== | ||
| + | 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]] | ||
| + | |||
| + | === Ideal Donnan Partitioning === | ||
| + | An example solution using sympy can be found here [[File:Ideal donnan partitioning.zip]] | ||
== 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]] | ||
Latest revision as of 01:17, 21 November 2023
As Jonas Landsgesell is not a member of our working group anymore, the information on this page might be outdated.
PhD
| 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
Front cover of Macromolecules, Vol 55, No 8, 2022.
-
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] -
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] -
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] -
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] -
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: 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