48 citations · 140 across the 13 of their papers we have counts for
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cond-mat.stat-mech2017★ 16 cited
From Classical to Quantum and Back: Hamiltonian Adaptive Resolution Path Integral, Ring Polymer, and Centroid Molecular Dynamics
Karsten Kreis, Kurt Kremer, Raffaello Potestio +1
Path integral-based simulation methodologies play a crucial role for the investigation of nuclear quantum effects by means of computer simulations. However, these techniques are si…
cond-mat.stat-mech2015
From classical to quantum and back: Hamiltonian coupling of classical and Path Integral models of atoms
Karsten Kreis, Mark E. Tuckerman, Davide Donadio +2
In computer simulations, quantum delocalization of atomic nuclei can be modeled making use of the Path Integral (PI) formulation of quantum statistical mechanics. This approach, ho…