David Beyer

David Beyer
PhD Student

Office:	01.039
Phone:	+49 711 685-67704
Fax:	+49 711 685-63658
Email:	dbeyer _at_ icp.uni-stuttgart.de
Address:	David Beyer Institute for Computational Physics Universität Stuttgart Allmandring 3 70569 Stuttgart Germany

Publications

2024

• Rudolf Weeber, Jean-Noël Grad, David Beyer, Pablo M. Blanco, Patrick Kreissl, Alexander Reinauer, Ingo Tischler, Peter Košovan, Christian Holm.
  ESPResSo, a Versatile Open-Source Software Package for Simulating Soft Matter Systems.
  In Comprehensive Computational Chemistry, pages 578–601. Edited by Manuel Yáñez, Russell J. Boyd. Edition 1.
  Elsevier, Oxford, 2024. ISBN: 978-0-12-823256-9.
  [PDF] (3.7 MB) [DOI]

2023

• David Beyer, Peter Košovan, Christian Holm.
  Explaining Giant Apparent pK_a Shifts in Weak Polyelectrolyte Brushes.
  Physical Review Letters 131(16):168101, 2023.
  [PDF] (1.4 MB) [Preprint] [DOI]
• David Beyer, Christian Holm.
  A generalized grand-reaction method for modeling the exchange of weak (polyprotic) acids between a solution and a weak polyelectrolyte phase.
  The Journal of Chemical Physics 159(1):014905, 2023.
  [PDF] (6.2 MB) [Preprint] [DOI]
• Simon Gravelle, David Beyer, Mariano Brito, Alexander Schlaich, Christian Holm.
  Assessing the Validity of NMR Relaxation Rates Obtained from Coarse-Grained Simulations of PEG-Water Mixtures.
  The Journal of Physical Chemistry B 127(25):5601–5608, 2023.
  [PDF] (3.0 MB) [Preprint] [DOI]
• Peter Košovan, Jonas Landsgesell, Lucie Nová, Filip Uhlík, David Beyer, Pablo M. Blanco, Roman Staňo, Christian Holm.
  Reply to the ‘Comment on “Simulations of ionization equilibria in weak polyelectrolyte solutions and gels''’ by J. Landsgesell, L. Nová, O. Rud, F. Uhlík, D. Sean, P. Hebbeker, C. Holm and P. Košovan, \emph Soft Matter, 2019, 15, 1155–1185.
  Soft Matter 19(19):3522–3525, 2023.
  [PDF] (251 KB) [DOI]

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]
• 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]

Posters

2023

• Path Integral Molecular Dynamics Simulations Using ESPResSo (ESPResSo summer school, Stuttgart, October 2023)
• A Generalized Grand-Reaction Method for Modeling the Exchange of Weak (Polyprotic) Acids between a Solution and a Weak Polyelectrolyte Phase (International Symposium on Polyelectrolytes, Prague, August 2023)

2022

• Coarse-Grained Simulations of Weak Polyelectrolyte Hydrogels (ESPResSo summer school, Stuttgart, October 2022)
• Huge pKa-Shifts in Weak Polyelectrolyte Brushes Explained by Coarse-Grained Simulations (DPG Meeting Regensburg, September 2022)
• Coarse-Grained Simulations of Two-Phase Weak Polylectrolyte Systems (MolSim2022 winter school, January 2022)

2021

• Weak Polyelectrolyte Hydrogels Modeled at Different Resolutions (CECAM Mixed-Gen on-line session, October 2021)

Data Repositories

2023

• Scripts and Data for "A Generalized Grand-Reaction-Method for Modelling the Exchange of Weak (Polyprotic) Acids between a Solution and a Weak Polyelectrolyte Phase"
• Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations"

2022

• Electronic Supporting Information and Data for: Simulations Explain the Swelling Behavior of Hydrogels with Alternating Neutral and Weakly Acidic Blocks

• Electronic Supporting Information and Data for: The pH-dependent Swelling of Weak Polyelectrolyte Hydrogels Modeled at Different Levels of Resolution

Journal Covers

Front cover of Macromolecules, Vol 55, No 8, 2022.

Theses

Master Thesis

Title: Coarse-Grained Computer Simulations of Weak Polyelectrolyte Hydrogels, Stars and Brushes
2021, Institute for Computational Physics, Stuttgart

• 

  Tetra-PEG-tetra-PAA hydrogel

• 

  Tetra-PEG-PDhA star

• 

  Weak polyelectrolyte brush

Bachelor Thesis

Title: Controlling Pattern Formation in the Confined Schnakenberg Model
2019, Max Planck Institute for Intelligent Systems, Stuttgart

left: time evolution of a concentration field in the 1D Schnakenberg model, right: stationary pattern

Teaching

• Computergrundlagen (WS 23/24)
• Simulation Methods in Physics I (WS 22/23)
• Simulation Methods in Physics II (SS 22)
• ESPResSo Block course (WS 21/22)
• Hauptseminar "Porous Media" (SS 21)
• Computergrundlagen (WS 20/21)
• Grundlagen der Experimentalphysik II (SS 19)
• Grundlagen der Experimentalphysik I (WS 18/19)

Supervised Students

• Devashish Tiwari, DAAD Internship Project
  "Path Integral Molecular Dynamics Simulations using ESPResSo" (2023).
• Loris Burth, B.Sc. thesis and Propaedeuticum (SimTech)
  "Coarse-Grained Simulations of Weak Polyelectrolytes" (2023).

Find Me on the Web

• arXiv
• ChemRxiv
• Google Scholar
• ORCID
• ResearchGate

Other Activities

• Handout numerical simulation (Hauptseminar 2020)