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SUMMARY:Constant-Uncertainty Molecular Dynamics - A New Method for Approxi
 mating Quantum Dynamics? - Sundeep Popat\, University of Cambridge
DTSTART:20181010T134000Z
DTEND:20181010T140000Z
UID:TALK109645@talks.cam.ac.uk
CONTACT:Lisa Masters
DESCRIPTION:Constant-uncertainty molecular dynamics (CUMD) has been propos
 ed as a “simple and efficient” method in which quantum effects can be 
 incorporated into classical molecular dynamics simulations. The method has
  been shown to give better results than ring-polymer molecular dynamics (R
 PMD) for one-dimensional test systems. In this talk I analyse the method\,
  discuss the problems that arise from it and consider the potential use of
  the first step of the method (momenta rescaling of RPMD beads).
LOCATION:Department of Chemistry\, Cambridge\, Unilever lecture theatre
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