382 citations · 639 across the 11 of their papers we have counts for
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physics.chem-ph2018★ 382 cited
i-PI 2.0: A Universal Force Engine for Advanced Molecular Simulations
Venkat Kapil, Mariana Rossi, Ondrej Marsalek +23
Progress in the atomic-scale modelling of matter over the past decade has been tremendous. This progress has been brought about by improvements in methods for evaluating interatomi…
physics.chem-ph2018★ 65 cited
Recognizing Local and Global Structural Motifs at the Atomic Scale
Piero Gasparotto, Robert Horst Meißner, Michele Ceriotti
Most of the current understanding of structure-property relations at the molecular and the supramolecular scales can be formulated in terms of the stability of and the interactions…