Machine learning a general-purpose interatomic potential for silicon

Article, Preprint English OPEN
Bartok, Albert P.; Kermode, James; Bernstein, Noam; Csanyi, Gabor;
(2018)

The success of first-principles electronic-structure calculation for predictive modeling in chemistry, solid-state physics, and materials science is constrained by the limitations on simulated length scales and timescales due to the computational cost and its scaling. T... View more