My interests are in understanding and using classical atomistic methods for investigating mechanical behaviors of materials at the atomic level. In particular, using classical molecular dynamics to investigate the behavior and interactions of dislocations influenced by other crystalline defects.
I am the content manager for the Interatomic Potential Repository Project, which hosts 150+ classical interatomic potentials across a wide range of materials. My work on the project involves performing high-throughput calculations of basic materials properties using the different atomic models. This assists molecular dynamics users by providing the necessary information for them to select an interatomic potential suitable to their interests.
I have a few github projects related to my research: