167 citations · 1.7k across the 63 of their papers we have counts for
Showing 2009 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2009
Molecular hydrogen in silicon: A path-integral simulation
Carlos P. Herrero, Rafael Ramirez
Molecular hydrogen in silicon has been studied by path-integral molecular dynamics simulations in the canonical ensemble. Finite-temperature properties of these point defects were…
cond-mat.mtrl-sci2009★ 53 cited
Vibrational properties and diffusion of hydrogen on graphene
Carlos P. Herrero, Rafael Ramirez
Hydrogen and deuterium chemisorption on a single layer of graphene has been studied by path-integral molecular dynamics simulations. Finite-temperature properties of these point de…
cond-mat.mtrl-sci2009★ 14 cited
Isotope effects on the lattice parameter of cubic SiC
Carlos P. Herrero, Rafael Ramirez, Manuel Cardona
Path-integral molecular dynamics simulations in the isothermal-isobaric (NPT) ensemble have been carried out to study the dependence of the lattice parameter of 3C-SiC upon isotope…