820 citations · 12k across the 115 of their papers we have counts for
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cond-mat.mtrl-sci2015★ 73 cited
Accurate molecular dynamics and nuclear quantum effects at low cost by multiple steps in real and imaginary time: using density functional theory to accelerate wavefunction methods
Venkat Kapil, Joost VandeVondele, Michele Ceriotti
The development and implementation of increasingly accurate methods for electronic structure calculations mean that, for many atomistic simulation problems, treating light nuclei a…
cond-mat.stat-mech2015★ 59 cited
The solid-liquid interfacial free energy out of equilibrium
Bingqing Cheng, Gareth A. Tribello, Michele Ceriotti
The properties of the interface between solid and melt are key to solidification and melting, as the interfacial free energy introduces a kinetic barrier to phase transitions. This…