Forthcoming Events

05.09.2022 - 09.09.2022, Iseolago hotel, Iseo, Italy.


MUST2022 Conference- a great success!
New scientific highlights- by MUST PIs Wörner, Chergui, and Richardson
FELs of Europe prize for Jeremy Rouxel- “Development or innovative use of advanced instrumentation in the field of FELs”
Ruth Signorell wins Doron prizefor pioneering contributions to the field of fundamental aerosol science
New FAST-Fellow Uwe Thumm at ETH- lectures on Topics in Femto- and Attosecond Science
International Day of Women and Girls in Science- SSPh asked female scientists about their experiences
New scientific highlight- by MUST PIs Milne, Standfuss and Schertler
EU XFEL Young Scientist Award for Camila Bacellar,beamline scientist and group leader of the Alvra endstation at SwissFEL
Prizes for Giulia Mancini and Rebeca Gomez CastilloICO/IUPAP Young Scientist Prize in Optics & Ernst Haber 2021
Nobel Prize in Chemistry awarded to RESOLV Member Benjamin List- for the development of asymmetric organocatalysis
NCCR MUST at Scientifica 2021- Lightning, organic solar cells, and virtual molecules
#NCCRWomen- NCCR MUST celebrates 50 years women’s right to vote in Switzerland

Unravelling Time-resolved Spectra Using Quantum Dynamics Simulations

Date Do, 18.02.2016 - Do, 18.02.2016
Time 16.30
Speaker Prof. Graham Worth, Dept. of Chemistry, University of Birmingham, Edgbaston, Birmingham
Location EPF Lausanne, CH G1 495
Program Time-resolved spectroscopy is able to probe the fundamental dynamics of molecular systems after photo-excitation, and is now a well established technique. The signal obtained, however, is often complicated due to the large number of vibronic states excited by short laser pulses. To unravel the signal and determine exactly what is going on, computer simulations are often an essential tool. Unfortunately, this requires solving the time-dependent Schroedinger Equation for multi-dimensional systems, a computationally hard problem. The multi-configurational time-dependent Hartree (MCTDH) approach is one of the few methods able to simulate the quantum dynamics of systems with 10-100 atoms over a few hundred femtoseconds in full detail. Using observables calculated from simulations, we have been able to identify processes such as ultrafast inter-system crossing in benzene, the importance of rydberg states in heteroaromatic molecules, and a novel charge transfer state in the pyrrole dimer. Work is still ongoing to make the method more general and flexible.
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