Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon

by Yury Lysogorskiy, Cas van der Oord, Anton Bochkarev, Sarath Menon, Matteo Rinaldi, Thomas Hammerschmidt, Matous Mrovec, Aidan Thompson, Gábor Csányi, Christoph Ortner, Ralf Drautz
Published 2021-06-01

Numerical analysis of variational problems in atomistic interaction models

by Langwallner, Bernhard
Published 2011