Jonas Landsgesell

As Jonas Landsgesell is not a member of our working group anymore, the information on this page might be outdated.

Jonas Landsgesell
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

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 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.

Titration curves at different Bjerrum lengths

Bachelor Thesis

Title: Free energy decomposition methods are applied to investigate the entropic contributions of water to the folding of beta hairpins.

Beta hairpin in water

Previous Activities

• VMD plugin for displaying h5md files
• File:Remark on partial derivatives.pdf