The N-body interatomic potential for carbon: Influence of the precision of three-body interactions' contribution on the accuracy of molecular dynamics simulations

Published: 7 February 2024| Version 1 | DOI: 10.17632/5kdtvgwd8t.1
Contributor:
Andrey Kartamyshev

Description

The supplemetary materials to the article "The N-body interatomic potential for carbon: Influence of the precision of three-body interactions' contribution on the accuracy of molecular dynamics simulations"

Files

Steps to reproduce

1. Install LAMMPS package according to the instructions in installing_lammps.txt file; 2. Run lammps with command 'lmp -in control.inp' from subfolders in the lammps_examples folder.

Categories

Graphene, Diamond, Molecular Dynamics, Atomic Defect, Carbon

Funding

Russian Science Foundation

22-72-10026

Licence