Computation for intermetallics

10:55 AM - 11:15 AM JST(1:55 AM - 2:15 AM UTC)

[Or37] Bridging Theory and Experiment: Machine-Learned Interatomic Potentials for Rapid Hydrogen Storage Alloy Discovery

*Lei Lei¹, Siow Mean Loh¹, Oliver Morrison¹, Matthew D Witman², Vitalie Stavila², David M Grant¹, Martin Dornheim¹, Sanliang Ling¹ (1. University of Nottingham (UK), 2. Sandia National Laboratories (USA))

Keywords:

Machine Learned Interatomic Potentials,PCT Prediction,Alloys Discovery