160 citations · 1.1k across the 30 of their papers we have counts for
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cond-mat.stat-mech2020★ 23 cited
Mass-zero constrained molecular dynamics for electrode charges in simulations of electrochemical systems
Alessandro Coretti, Laura Scalfi, Camille Bacon +5
Classical molecular dynamics simulations have recently become a standard tool for the study of electrochemical systems. State-of-the-art approaches represent the electrodes as perf…
cond-mat.stat-mech2020★ 21 cited
Adiabatic motion and statistical mechanics via mass zero constrained dynamics
Sara Bonella, Alessandro Coretti, Rodolphe Vuilleumier +1
In recent work [Coretti et al., The Journal of Chemical Physics, 2018, 149, 191102], a new algorithm to solve numerically the dynamics of the shell model for polarization was prese…