172 citations · 185 across the 3 of their papers we have counts for
3 papers
physics.comp-ph2023★ 1 cited
Effective Data-Driven Collective Variables for Free Energy Calculations from Metadynamics of Paths
Lukas Müllender, Andrea Rizzi, Michele Parrinello +2
A variety of enhanced sampling methods predict multidimensional free energy landscapes associated with biological and other molecular processes as a function of a few selected coll…
cond-mat.soft2001★ 172 cited
Action-derived molecular dynamics in the study of rare events
D. Passerone, M. Parrinello
We present a practical method to generate classical trajectories with fixed initial and final boundary conditions. Our method is based on the minimization of a suitably defined dis…
cond-mat.mtrl-sci2000★ 12 cited
An anomalous alloy: Y_x Si_{1-x}
V. Meregalli, M. Parrinello
We study via density functional-based molecular dynamics the structural and dynamical properties of the rare earth silicon amorphous alloy Y_xSi_{1-x} for x=0.093 and x=0.156. The…