24 citations · 30 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2021★ 6 cited
Free energy of (CoxMn1-x)3O4 mixed phases from machine-learning-enhanced ab initio calculations
Suzanne K. Wallace, Anton S. Bochkarev, Ambroise van Roekeghem +3
(CoxMn1-x)3O4 is a promising candidate material for solar thermochemical energy storage. A high-temperature model for this system would provide a valuable tool for evaluating its p…
cond-mat.mtrl-sci2019★ 24 cited
Anharmonic Thermodynamics of Vacancies Using a Neural Network Potential
Anton S. Bochkarev, Ambroise van Roekeghem, Stefano Mossa +1
Lattice anharmonicity is thought to strongly affect vacancy concentrations in metals at high temperatures. It is however non-trivial to account for this effect directly using densi…