Thursday, 15.10
Quantum chemical methods for the ro-vibrational Schrödinger equation (chairman Brian Sutcliffe)
12h30-15h30 Welcome buffet + Poster session
15h30-16h30 Yann Bouret and Patrick Cassam-Chenaď, CONVIVIAL: a graphical user interface for performing vibrational mean field configuration interactions (abstract, presentation_pcc, presentation_yb)
16h30-17h30 Attila Császár, Computational tools for high-resolution spectroscopy (abstract, presentation )
17h30-18h00 Coffee break
18h00-19h00 Daiqian Xie, Potential energy surfaces and predicted infrared spectra of van der Waals complexes (abstract, presentation )
19h30 Dinner
Friday, 16.10
Towards biological systems: new challenges (chairman Patrick Cassam-Chenaď)
9h00-10h00 Fabrizio Santoro, Time dependent and time independent approaches to computational spectroscopy: toward complete spectra of realistic systems in condensed phases (abstract, presentation )
10h00-11h00 Isabelle Kleiner, Microwave spectroscopy of biomimetics molecules (abstract, presentation )
11h00-11h20 Coffee break
11h20-12h20 Michel Mons, laser spectroscopies of biomolecules in the gas phase (abstract, presentation )
12h45 Lunch
State of the art classical methods (chairman Yann Bouret)
14h30-15h30 Gabriel Stoltz, Computational Statistical Physics: A Mathematical Overview (abstract, presentation)
15h30-16h30 Jean-Philip Piquemal, Towards quantitative modelling of biological and complex systems using polarizable force fields (abstract, presentation )
16h30-17h00 Coffee Break
17h00-18h00 Krystyna Zakrzewska, Influence of Conformational Dynamics on the Exciton States of DNA (abstract, presentation )
18h00-19h00 Rodolphe Vuilleumier, Infrared spectra of small biomolecules from first-principle molecular dynamics simulations and effective normal mode analysis (abstract, presentation )
19h30 Dinner
Towards biological systems: new challenges (chairman Patrick Cassam-Chenaď)
9h00-10h00 Fabrizio Santoro, Time dependent and time independent approaches to computational spectroscopy: toward complete spectra of realistic systems in condensed phases (abstract, presentation )
10h00-11h00 Isabelle Kleiner, Microwave spectroscopy of biomimetics molecules (abstract, presentation )
11h00-11h20 Coffee break
11h20-12h20 Michel Mons, laser spectroscopies of biomolecules in the gas phase (abstract, presentation )
12h45 Lunch
State of the art classical methods (chairman Yann Bouret)
14h30-15h30 Gabriel Stoltz, Computational Statistical Physics: A Mathematical Overview (abstract, presentation)
15h30-16h30 Jean-Philip Piquemal, Towards quantitative modelling of biological and complex systems using polarizable force fields (abstract, presentation )
16h30-17h00 Coffee Break
17h00-18h00 Krystyna Zakrzewska, Influence of Conformational Dynamics on the Exciton States of DNA (abstract, presentation )
18h00-19h00 Rodolphe Vuilleumier, Infrared spectra of small biomolecules from first-principle molecular dynamics simulations and effective normal mode analysis (abstract, presentation )
19h30 Dinner