332 citations · 415 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2008★ 332 cited
Understanding adsorption of hydrogen atoms on graphene
Simone Casolo, Ole Martin Lovvik, Rocco Martinazzo +1
Adsorption of hydrogen atoms on a single graphite sheet (graphene) has been investigated by first-principles electronic structure means, employing plane-wave based, periodic densit…
cond-mat.mtrl-sci2007★ 83 cited
First-Principles Semiclassical Initial Value Representation Molecular Dynamics
Michele Ceotto, Sule Atahan, Sangwoo Shim +2
A method for carrying out semiclassical initial value representation calculations using first-principles molecular dynamics (FP-SC-IVR) is presented. This method can extract the fu…