Interatomic Potentials

This repository provides a source for interatomic potentials, related files, and evaluation tools to help researchers obtain interatomic models and judge their quality and applicability. Users are encouraged to use these interatomic potentials and developers are welcome to contribute potentials for inclusion. The files provided have been reported by our researchers and appropriate references are provided. Interatomic potentials and/or related files are currently available for various metals, semiconductors, oxides, and carbon-containing systems.

Researchers should pay attention to using appropriate coefficients for their atomic structures (in defined physical condition) by reading the reference paper of each Lennard-Jones coefficients!