Reinforcing materials modelling by encoding the structures of defects in crystalline solids into distortion scores

by Alexandra M. Goryaeva, Clovis Lapointe, Chendi Dai, Julien Dérès, Jean-Bernard Maillet, Mihai-Cosmin Marinica
Published 2020-09-01

Data-driven magneto-elastic predictions with scalable classical spin-lattice dynamics

by Svetoslav Nikolov, Mitchell A. Wood, Attila Cangi, Jean-Bernard Maillet, Mihai-Cosmin Marinica, Aidan P. Thompson, Michael P. Desjarlais, Julien Tranchida
Published 2021-09-01