Forthcoming Events

05.09.2022 - 09.09.2022, Iseolago hotel, Iseo, Italy.

News

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

X-Ray Photodynamics in Liquid Phase: Ab Initio Simulations

Date Do, 15.10.2015 - Do, 15.10.2015
Time 16.30
Speaker Prof. Petr Slavicek, University of Chemistry and Technology, Prague
Location EPF Lausanne, CH G1 495
Program In my talk, I will focus on ab initio simulations of novel electron and charge transfer processes identified recently in hydrogen bonded systems. Highly excited molecules relax dominantly by autoionization processes, Auger decay being the most familiar example. Autoionization was considered to be dominantly on-site process, i.e. the excited molecule also ionizes. Recently, various non-local ionization processes such as Intermolecular Coulomb Decay (ICD) or Electron Transfer Mediated Decay (ETMD) were identified.[1] Despite the ultrafast nature of these processes, electron and nuclear dynamics are strongly entangled, leading to a whole plethora of new channels in condensed phase.[2,3] Spectroscopic signatures of these new relaxation pathways and their possible applications as a new spectroscopy tools in liquid phase will be discussed in my talk. I will argue that liquid phase Auger spectra convey invaluable information on hydrogen bonding structure of liquids or molecular speciation when combined with theoretical analysis. I will further discuss molecular simulations of ultrafast relaxation processes following the interaction of molecules and liquids with high-energy radiation. Results obtained with methods of quantum dynamics, non-adiabatic semiclassical dynamics and real time density functional theory will be shown. These results update the view on the first few femtoseconds in radiation chemistry.
Download (75 KB)
(75 KB)
Link isic.epfl.ch
NCCR MUST Office : ETHZ IQE/ULP-HPT H3 | Auguste-Piccard-Hof 1 | 8093 Zurich | E-Mail
The National Centres of Competence in Research (NCCR) are a research instrument of the Swiss National Science Foundation