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SUMMARY:Hierarchical equations of motion - Adam Prada\, University of Camb
 ridge
DTSTART:20191106T144000Z
DTEND:20191106T150000Z
UID:TALK130444@talks.cam.ac.uk
CONTACT:Lisa Masters
DESCRIPTION:Hierarchical equations of motion (HEOM) are a computational me
 thod for an exact time evolution of a quantum density matrix in the presen
 ce of a dissipative heat bath. This allows tuning of the friction and fluc
 tuations exerted on the system and therefore the rate of decoherence. A ma
 jor family of chemical dynamics methods are methods based on Matsubara dyn
 amics (RPMD\, CMD\, TRPMD\, QCMD). Inherent to these methods is their clas
 sical treatment of the dynamics which results in a neglect of real time co
 herence. This omission is a suspected source of at least some shortcomings
  of the methods. I shall discuss my work on HEOM including an investigatio
 n of the blue shift that TRPMD exhibits in anharmonic potentials.
LOCATION:Department of Chemistry\, Cambridge\, Unilever lecture theatre
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