226 citations · 695 across the 31 of their papers we have counts for
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physics.chem-ph2017★ 23 cited
Open Boundary Simulations of Proteins and Their Hydration Shells by Hamiltonian Adaptive Resolution Scheme
Thomas Tarenzi, Vania Calandrini, Raffaello Potestio +2
The recently proposed Hamiltonian Adaptive Resolution Scheme (H-AdResS) allows to perform molecular simulations in an open boundary framework. It allows to change on the fly the re…
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…