Hebrew University – Universität Wien Seminar

October 31, 2017

Development of computational methods to study light‐induced processes

Fritz Haber Center for Molecular Dynamics
Hebrew University of Jerusalem
Organized by: Leticia Gonzalez and Igor Schapiro



1st day   Tuesday, October 31st                                                                             

09:00 Welcome and Introduction

09:15  “Dexter energy transfer pathways”
Spiros Skourtis (University of Cyprus)

10:00  Coffee break

10:30  “The SHARC approach to simulate excited-state dynamics”
Leticia González (University of Vienna)

11:15 Optical Excitation using Complex-valued Classical Trajectories”
David Tannor (Weizmann Institute)

12:00 Lunch

14:00 “Using ionization to probe excited-state dynamics
Philipp Marquetand (University of Vienna)

14:45 “Exact wavefucntion factorizarion”
Hardy Gross (MPI Halle & Hebrew University of Jerusalem)

15:30 Coffee break

16:00 “Photochemistry of aldehyde clusters”
Dorit Shemesh (Hebrew University of Jerusalem)
“Reaction dynamics of (H2OF)+: an ab initio exploration of product distribution and intermediate species"
Laura McCaslin (Hebrew University of Jerusalem)

16:45  “Hydrogen bonding, reversed stability in excited state and aromaticity - VB guide to computational study of tautomeric systems”
Shmuel Zilberg (Ariel University)

17:30 “GPU computing in excited-state chemistry”
Markus Oppel (University of Vienna)

19:00 Dinner

2nd day   Wednesday, November 1st                                                                             

09:00 “Stochastic electronic structure”
Roi Baer (Hebrew University of Jerusalem)

09:45 “The influence of environment on excited states”
Juan José Nogueira (University of Vienna)

10:30 Round Table Discussion

12:00 Lunch