no code implementations • 9 Oct 2022 • Cas van der Oord, Matthias Sachs, Dávid Péter Kovács, Christoph Ortner, Gábor Csányi
Data-driven interatomic potentials have emerged as a powerful class of surrogate models for {\it ab initio} potential energy surfaces that are able to reliably predict macroscopic properties with experimental accuracy.
3 code implementations • 8 Nov 2019 • Markus Bachmayr, Gabor Csanyi, Ralf Drautz, Genevieve Dusson, Simon Etter, Cas van der Oord, Christoph Ortner
The Atomic Cluster Expansion (Drautz, Phys.
Numerical Analysis Numerical Analysis
