Confinement Technique for Simulating Finite Many-Body Systems
作者： S. F. Chekmarev
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摘要: A novel approach to computer simulation study of a finite many-body system is considered that allows one gain detailed information about the system, including its potential energy surface (PES), equilibrium properties and kinetics. The based on confinement molecular dynamics trajectory catchment basins PES goes beyond limitations imposed by inherent statistics restrict capabilities existing methods. illustrated solution typical problems for several systems (rare-gas carbon clusters, molecule alanin tetrapeptide).
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