Theoretical Developments for Radiation Damage
Working Group Four
Chair: Marie-Christine Bacchus
(Page last updated: 2nd October 2007)
Latest news for WG4: (2nd October 2007)
Third meeting of the working group: 21st -22nd September 2007, Workshop on Theoretical Developments for Radiation Damage, Fréjus, France
First meeting of the working group: Working group 4
held a meeting on 30th October 2004 in Brussels at the Université Libre de Bruxelles
Report from the WG4 October 2004 meeting
Second meeting of the working group: Round Table meeting WG4, Gröningen, June 6th 2006 - Meeting Programme, Report
For more information regarding this working group please contact Marie-Christine Bacchus (01/02/06)
List of WG4 participants: More details including addresses are below (Last updated: 11/05/06)
| Name | |
| Marie-Christine Bacchus (Chairwoman) |  |
| Prof. Nathalie Vaeck | |
| Prof. Jacques Liévin | |
| Dr. Georges Dive | |
| Prof. Michčle Desouter-Lecomte | |
| Dr. David Lauvergnat | |
| Dr. Chantal Daniel | |
| Dr. Fabien Gatti | |
| Dr. Jean-Pierre Flament | |
| Dr. Valérie Vallet | |
| Dr. Denis Duflot | |
| Prof. Wolfgang Domcke | |
| Dr. Vincent Brems | |
| Prof. Mike Robb | |
| Dr. Martial Boggio-Pasqua | |
| Prof. Maurizio Persico | |
| Dr. Benedetta Mennucci | |
| Dr. Giovanni Granucci | |
| Prof. Massimo Olivucci, | |
| Dr. Luis Serrano Andrés, | |
| Dr. Andrzej Sobolewski | |
| Prof. Jozef E. Sienkiewicz | |
| Dr. Leticia Gonzalez | |
| Prof. Dr. Christel Marian | |
| Prof. Lluís Blancafort | |
| Prof. Luis Mendéz | |
| Prof. John R. Sabin | |
| Dr. Remigio C. Trujillo | |
| Dr. Gábor Halász | |
| Prof. Ágnes Vibók | |
Description of Working Group Aims:
Investigation of the role played by excited electronic states and non-adiabatic couplings on the dynamics of biomolecules interacting with radiation. This will involve the calculation of potential energy surfaces and of the couplings between electronic states, the analysis of the coordination space and the study of quantum dynamics. The effect of the solvents will also be evaluated.
Presentation from the WG4 Group detailing the activities of the group:
To view the presentation in the browser left click on the icon
To download the *.ppt file right click on the icon and 'Save Target As'.
Working Group Participants:
Prof. Nathalie Vaeck (Chairwoman) nvaeck@ulb.ac.be,
Prof. Jacques Liévin jlievin@ulb.ac.be
Laboratoire de Chimie Quantique et Photophysique
(Université Libre de Bruxelles, Belgium)
Dr. Georges
Dive gdive@ulg.ac.be
Centre d’ingénierie des protéines
(Université de Ličge, Belgium)
Prof. Michčle
Desouter-Lecomte Michele.Desouter-Lecomte@lcp.u-psud.fr
Dr. David Lauvergnat
david.lauvergnat@lcp.u-psud.fr
Laboratoire de Chimie Physique, LCP
(Université de Paris-Sud, France)
Dr.
Marie-Christine Bacchus-Montabonel bacchus@lasim.univ-lyon1.fr
Laboratoire de Spectrométrie Ionique et Moléculaire, LASIM
(Université de Lyon I, France)
Dr. Chantal
Daniel,
daniel@quantix.u-strasbg.fr
Laboratoire de Chimie Quantique
(Université Louis Pasteur, Strasbourg, France)
Dr. Fabien
Gatti,
gatti@univ-montp2.fr
Laboratoire de structure et dynamique des systčmes moléculaires et des
solides
(Université de Montpellier II)
Dr. Jean-Pierre
Flament
Jean-Pierre.Flament@univ-lille1.fr
Dr. Valérie Vallet
valerie.valet@univ-lille1.fr
Dr. Denis Duflot
denis.duflot@univ-lille1.fr
PhLAM UFR de Physique (Université de Lille I)
Prof. Wolfgang
Domcke,
Wolfgang.Domcke@ch.tum.de
Lehrstuhl für Theoretische Chemie
(Technische Universität München, Germany)
Dr. Vincent
Brems
brems@thch.uni-bonn.de
Lehrstuhl für Theoretische Chemie
(Universität Bonn, Germany)
Prof. Mike
Robb, mike.robb@imperial.ac.uk
Dr. Martial Boggio-Pasqua m.boggio@imperial.ac.uk
Computational Photochemistry Group
(Imperial College London, UK)
Prof. Maurizio
Persico
mau@dcci.unipi.it
Dr. Benedetta Mennucci,
bene@dcci.unipi.it
Dr. Giovanni Granucci
Dipartimento di Chimica e Chimica Industriale
(Universitŕ di Pisa, Italy)
Prof. Massimo
Olivucci,
Olivucci@unisi.it
Dipartimento di Chimica
(Universitŕ di Siena, Italy)
Dr. Luis
Serrano Andrés,
Luis.Serrano@uv.es
Quantum Chemistry of the Excited State
Instituto de Ciencia Molecular
(Universitat de Valčncia, Spain)
Dr. Andrzej
Sobolewski
sobola@ifpan.edu.pl
(Polish Academy of Sciences, Warsaw, Poland)
Prof. Jozef E.
Sienkiewicz
jes@mif.pg.gda.pl
Department of Theoretical Physics and Mathematical Methods
(Gdansk University of Technology, Poland)
Dr. Leticia
Gonzalez leti@chemie.fu-berlin.de
Institut fuer Chemie
(Freie Universitaet Berlin)
Prof. Dr.
Christel Marian Christel.Marian@uni-duesseldorf.de
Institut für Theoretische Chemie
(Heinrich-Heine-Universität, Düsseldorf)
Prof. Lluís
Blancafort
lluisb@stark.udg.es
Institut de Química Computacional, Facultat de Cičncies,
(Universitat de Girona)
Prof. Luis Mendéz l.mendez@uam.es
Laboratorio Asociado al CIEMAT de Fisica Atomica y Molecular en Plasmas de
Fusion
Universidad Autonoma de Madrid
Canto Blanco, 28049 Madrid, Spain
Prof. John R. Sabin sabin@qtp.ufl.edu
University of Southern Denmark
Campusvej 55
DK-5230 Odense, Denmark
Dr. Remigio C. Trujillo trujillo@qtp.ufl.edu
Department of Physics
Quantum Theory Project
Universita of Florida, Gainesville FL, 32611-8435, USA
Prof. Ágnes Vibók
vibok@phys.unideb.hu
Department of Theoretical Physics, University of Debrecen
P.O. Box 5, Egyetem tér 1
H-4010 Debrecen, Hungary
Dr. Gábor Halász
halasz@inf.unideb.hu
Faculty of Informatics, University of Debrecen
P.O. Box 12, Egyetem tér 1
H-4010 Debrecen, Hungary