Presentation Information
[Po114]A Uniform Pairwise Correction to Machine-Learned Potentials for Approximating Anharmonic Contribution in Metal Hydrides
*Sabarikirishwaran Ponnambalam1, Tim Gould1, Evan MacA. Gray1 (1. School of Environment and Science, Griffith University Nathan – 4111 (Australia))
Keywords:
Palladium Hydride,Anharmonicity,DFT,MLIP,Lattice Dynamics