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VERSION:2.0
PRODID:-//Memento EPFL//
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SUMMARY:TDDFT-based nonadiabatic dynamics with relativistic effects 
DTSTART:20160817T160000
DTEND:20160817T170000
DTSTAMP:20260407T183609Z
UID:b34104b75bc2adf811d4b1911ae8f06ab915dbed6a5cdc072bd46a19
CATEGORIES:Conferences - Seminars
DESCRIPTION:Ivano TAVERNELLI\nThis talk will address some recent advances 
 in TDDFT-based nonadiabatic dynamics for molecular systems using Tully’s
  surface hopping. In particular\, I will describe a method for the efficie
 nt simulation of intersystem crossing events\, which requires the on-the-f
 ly calculation of spin-orbit coupling matrix elements along the trajectori
 es. This approach will be applied to the study of the photophysics of meta
 l-organic complexes in solution and of different carbon nanostructures inc
 luding graphene nanoflakes and carbon nanotubes with different ‘wrapping
 ’ topologies.
LOCATION:PH H3 33 http://plan.epfl.ch/?lang=fr&room=phh333
STATUS:CONFIRMED
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