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Showing 2002Show all
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cond-mat.mtrl-sci2002★ 57 cited
A Concerted Variational Strategy for Investigating Rare Events
Daniele Passerone, Matteo Ceccarelli, Michele Parrinello
A strategy for finding transition paths connecting two stable basins is presented. The starting point is the Hamilton principle of stationary action; we show how it can be transfor…
cond-mat.stat-mech2002★ 5.7k cited
Escaping free-energy minima
A. Laio, M. Parrinello
We introduce a novel and powerful method for exploring the properties of the multidimensional free energy surfaces of complex many-body systems by means of a coarse-grained non-Mar…