Electrochemical Simulation

By Joseph Anderson

Texas A&M University

Simulate molecular dynamics using LAMMPS as well as an addition electrochemical force field (EChemDID)

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Version 1.0 - published on 13 Oct 2017

doi:10.4231/D3862BD6V cite this

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Abstract

This tool is a graphical user interface for LAMMPS. Most of the commonly used input features for LAMMPS are supported, such as group creation, structure generation, and dynamics. Also supported are applied electric fields (using the EChemDID LAMMPS module). 

Once the input script is generated, LAMMPS can be run from within the tool. The resulting stdout file can be viewed, and atomistic data can be visualized

Cite this work

Researchers should cite this work as follows:

  • Joseph Anderson (2017), "Electrochemical Simulation," https://nanohub.org/resources/echem. (DOI: 10.4231/D3862BD6V).

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