MetalWalls: A classical molecular dynamics software dedicated to the simulation of electrochemical systems
A. Marin-Laflèche, Matthieu Haefelé, Laura Scalfi, Alessandro Coretti, Thomas Dufils, Guillaume Jeanmairet, Stewart K. Reed, Alessandra Serva, Roxanne Berthin, Camille Bacon, Sara Bonella, Benjamin Rotenberg, Paul A. Madden, Mathieu Salanne
Abstract
Marin-Laflèche et al., (2020). MetalWalls: A classical molecular dynamics software dedicated to the simulation of electrochemical systems. Journal of Open Source Software, 5(53), 2373, https://doi.org/10.21105/joss.02373
Topics & Concepts
Molecular dynamicsSoftwareComputer scienceOpen source softwareComputational scienceChemistryOperating systemComputational chemistryFuel Cells and Related MaterialsElectrochemical Analysis and ApplicationsAdvanced battery technologies research