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SUMMARY:Quantum dynamics with quantum Boltzmann statistics: simulations of
  liquid water and ice
DTSTART:20180524T171500
DTEND:20180524T181500
DTSTAMP:20260504T153036Z
UID:69dc2cfeb9943fb28a4bc9adea3f585e3958b9033487485455f66375
CATEGORIES:Conferences - Seminars
DESCRIPTION:Prof. Stuart Althorpe University of Cambridge\nUK  \nIn water
  and ice\, the atomic nuclei exhibit quantum properties\, which a growing 
 body of evidence suggests are caused almost entirely by the quantum Boltzm
 ann statistics\, with the dynamics of the nuclei being classical. Here we 
 summarise a recently developed theory which explains how such a classical 
 dynamics can arise as a result of certain properties of the quantum statis
 tics. This dynamics involves the motion of smooth delocalised loops of the
  hydrogen atoms which\, despite being classical\, conserve the quantum Bol
 tzmann distribution. Exact implementation of this dynamics is not possible
  because of a phase problem\, but its approximate implementation can be do
 ne using mean-field and ‘planetary’ methods. We report recent applicat
 ions of these methods to simulations of the infrared spectrum of liquid wa
 ter and ice.
LOCATION:BCH 2201 https://plan.epfl.ch/?room==BCH%202201
STATUS:CONFIRMED
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