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SUMMARY:Modeling van der Waals interactions in molecules and materials - J
 an Hermann\, FU Berlin
DTSTART:20220131T143000Z
DTEND:20220131T150000Z
UID:TALK167270@talks.cam.ac.uk
CONTACT:Dr Christoph Schran
DESCRIPTION:Van der Waals interactions originate from long-range correlati
 ons in electronic motion\, dictate thermodynamic properties of many molecu
 lar solids\, layered and nanostructured materials\, and biological compoun
 ds\, and govern processes ranging from molecular adsorption to biological 
 self-assembly. Density functional theory (DFT) is the workhorse of computa
 tional chemistry and materials modeling\, but famously neglects long-range
  van der Waals interactions in its most popular approximations\, which has
  led to a plethora of approaches that recover this missing part. In this t
 alk\, I will review the current state of the art in modelling van der Waal
 s interactions in the context of DFT\, and present a model that combines i
 ngredients from two previously disjoint classes of models to offer for the
  first time a treatment of vdW interactions that is simultaneously suffici
 ently general\, accurate\, and efficient.
LOCATION:Venue to be confirmed
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