124 citations · 241 across the 7 of their papers we have counts for
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cond-mat.soft2006★ 124 cited
Adaptive Resolution Simulation of Liquid Water
Matej Praprotnik, Luigi Delle Site, Kurt Kremer +2
We present a multiscale simulation of liquid water where a spatially adaptive molecular resolution procedure allows for changing on-the-fly from a coarse-grained to an all-atom rep…
physics.chem-ph2006★ 22 cited
Classical kinetic energy, quantum fluctuation terms and kinetic-energy functionals
I. P. Hamilton, Ricardo A. Mosna, L. Delle Site
We employ a recently formulated dequantization procedure to obtain an exact expression for the kinetic energy which is applicable to all kinetic-energy functionals. We express the…