Lightning Talk

Interatomic Potentials Repository and tools

Lucas Hale
  • TBA
  • TBA
Recording not available yet

The NIST Interatomic Potentials Repository hosts hundreds of interatomic potentials primarily designed for crystalline materials. A focus of the project is in making it easy and convenient for users to find, download, compare, and use the hosted models.  This talk will give an overview of the repository and the associated Python-based tools for new LAMMPS users, and updates with recent additions for existing users. Updates include better interactivity with OpenKIM models, improved methods for generating crystal defects, and basic usability features for running and analyzing LAMMPS simulations.