2 papers
cond-mat.stat-mech2021
The random force in molecular dynamics with electronic friction
Nils Hertl, Raidel Martin-Barrios, Oihana Galparsoro +5
The Langevin equation includes a random force to maintain equilibrium and prevent friction from bringing motion to a standstill; but for ballistic motion, the random force is often…
physics.comp-ph2020
An experimentally validated neural-network potential energy surface for H atoms on free-standing graphene in full dimensionality
Sebastian Wille, Hongyan Jiang, Oliver Bünermann +3
We present a first principles-quality potential energy surface (PES) describing the inter-atomic forces for hydrogen atoms interacting with free-standing graphene. The PES is a hig…