A method to alter the inertial response of generic degrees of freedom was discussed. The approach was suggested to reduce the mode spreading of a complex system by altering the real dynamics of the system in favor of a more efficient sampling scheme. The resulting dynamics, after introducing a special Hamiltonian in Cartesian coordinates, were found to be well-behaved and nonsingular, producing stable trajectories over long times.

Altered inertial response of generic degrees of freedom

Melchionna;Simone
2004

Abstract

A method to alter the inertial response of generic degrees of freedom was discussed. The approach was suggested to reduce the mode spreading of a complex system by altering the real dynamics of the system in favor of a more efficient sampling scheme. The resulting dynamics, after introducing a special Hamiltonian in Cartesian coordinates, were found to be well-behaved and nonsingular, producing stable trajectories over long times.
2004
rare events sampling
projective molecular dynamics
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/335029
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