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SUMMARY:Generalized Langevin Equations from MD simulations - Laura Scalfi 
 (Freie Universität Berlin)
DTSTART:20231106T140000Z
DTEND:20231106T150000Z
UID:TALK203275@talks.cam.ac.uk
DESCRIPTION:Generalized Langevin Equations are an exact description of the
  motion of an observable deriving from the projection of the full manybody
  system dynamics onto a single (or a few) selected degrees of freedom of t
 he system. The prediction and interpretation of the memory function\, cont
 aining the non-Markovian character of the observable\, is however not full
 y understood or often elaborated using approximations. Here\, we will show
  how to extract and parametrize GLEs from molecular dynamics simulations a
 nd how this can bring a novel analysis tool to investigate molecular proce
 sses.
LOCATION:Seminar Room 1\, Newton Institute
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