24 citations · 24 across the 2 of their papers we have counts for
3 papers
Full Quantum dynamics study for H atom scattering from graphene
Lei Shi, Markus Schröder, Hans-Dieter Meyer +6
This study deals with the understanding of hydrogen atom scattering from graphene, a process critical for exploring C-H bond formation and energy transfer during the atom surface c…
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…
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…