Open Source
Molecular Dynamics

Ab initio molecular dynamics trajectory of an Argon⁺ implanted under the boron nitride nanomesh, a corrugated single layer of hexagonal boron nitride with a honeycomb superstructure formed on a Rh(111) surface.

Ab initio molecular dynamics trajectory of a Zn⁺ ion binding on a terpyridine-based complex adsorbed at the air/water interface, as a first step for the formation of extened two-dimensional networks.