Published September 21, 2020
| Version 20.05
Software
Open
MetalWalls 20.05
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. Centre Européen de Calcul Atomique et Moléculaire (CECAM), Ecole Polytechnique Fédérale de Lausanne
- 6. Department of Materials, University of Oxford
- 7. Sorbonne Université, CNRS, Physico-chimie des Électrolytes et Nanosystèmes Interfaciaux, PHENIX & Maison de la Simulation, CEA, CNRS, Univ. Paris-Sud, UVSQ, Université Paris-Saclay
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.
Files
Files
(37.9 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:1a812d7e086d255b85fc5f7cd62da051
|
28.4 MB | Download |
|
md5:fa3d373a88e4d35c795286bd72c0d22b
|
9.5 MB | Download |
Additional details
Funding
- EoCoE-II – Energy Oriented Center of Excellence : toward exascale for energy 824158
- European Commission
- EoCoE – Energy oriented Centre of Excellence for computer applications 676629
- European Commission
- AMPERE – Accounting for Metallicity, Polarization of the Electrolyte, and Redox reactions in computational Electrochemistry 771294
- European Commission