181 citations · 1.2k across the 31 of their papers we have counts for
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physics.comp-ph2020★ 153 cited
A Unified Approach to Enhanced Sampling
Michele Invernizzi, Pablo Miguel Piaggi, Michele Parrinello
The sampling problem lies at the heart of atomistic simulations and over the years many different enhanced sampling methods have been suggested towards its solution. These methods…
cond-mat.stat-mech2020★ 26 cited
Phase equilibrium of liquid water and hexagonal ice from enhanced sampling molecular dynamics simulations
Pablo M. Piaggi, Roberto Car
We study the phase equilibrium between liquid water and ice Ih modeled by the TIP4P/Ice interatomic potential using enhanced sampling molecular dynamics simulations. Our approach i…