2.6k citations · 6.6k across the 64 of their papers we have counts for
Showing 2024Show all
2 papers · 1 filter
cond-mat.mtrl-sci2024
Ab initio elasticity at finite temperature and stress in ferroelectrics
Mark A. Mathis, Chris A. Marianetti
Computing the temperature and stress dependence of the full elastic constant tensor from first-principles in non-cubic materials remains a challenging problem. Here we circumvent t…
cond-mat.mtrl-sci2024
Benchmarking phonon anharmonicity in machine learning interatomic potentials
Sasaank Bandi, Chao Jiang, Chris A. Marianetti
Machine learning approaches have recently emerged as powerful tools to probe structure-property relationships in crystals and molecules. Specifically, Machine learning interatomic…