Published June 8, 2021
| Version 21.06
Software
Open
MetalWalls 21.06
Authors/Creators
- 1. Maison de la Simulation, CEA, CNRS, Univ. Paris-Sud, UVSQ, Université Paris-Saclay
- 2. Sorbonne Université, CNRS, Physico-chimie des Électrolytes et Nanosystèmes Interfaciaux, PHENIX
- 3. Department of Mathematical Sciences, Politecnico di Torino & Centre Européen de Calcul Atomique et Moléculaire (CECAM), École Polytechnique Fédérale de Lausanne
- 4. School of Chemistry, University of Leeds
- 5. Sorbonne Université, CNRS, Physico-chimie des Électrolytes et Nanosystèmes Interfaciaux, PHENIXSorbonne Université, CNRS, Physico-chimie des Électrolytes et Nanosystèmes Interfaciaux, PHENIX
- 6. Centre Européen de Calcul Atomique et Moléculaire (CECAM), Ecole Polytechnique Fédérale de Lausanne
- 7. Department of Materials, University of Oxford
Description
MetalWalls is a molecular dynamics code dedicated to electrochemical systems. Its main originality is the inclusion of a series of methods which allow a constant electrical potential to be applied to the electrode materials. It also allows the simulation of bulk liquids or solids using the polarizable ion model and the aspherical ion model.