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Altered inertial response of generic degrees of freedom

Academic Article
Publication Date:
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.
Iris type:
01.01 Articolo in rivista
Keywords:
rare events sampling; projective molecular dynamics
List of contributors:
Melchionna, Simone
Authors of the University:
MELCHIONNA SIMONE
Handle:
https://iris.cnr.it/handle/20.500.14243/335029
Published in:
THE JOURNAL OF CHEMICAL PHYSICS
Journal
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http://www.scopus.com/record/display.url?eid=2-s2.0-4544314817&origin=inward
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