Browsing by Subject "Molecular dynamics--Simulation methods"

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Temperature accelerated Monte Carlo (TAMC) : a method for sampling the free energy surface of non-analytical collective variables

Ciccotti, Giovanni ; Meloni, Simone (RSC Publishing, 2011)

We introduce a new method to simulate the physics of rare events. The method, an extension of the Temperature Accelerated Molecular Dynamics, comes in use when the collective variables introduced to characterize the rare ...