Scientific programme

Wednesday, August 29, 2018

09:00

10:00

11:00

12:00

13:00

14:00

15:00

16:00

17:00

18:00

›9:00 (40min)

Non-adiabatic Photochemistry using Grids and Gaussians
G. Worth

›9:40 (30min)

Joined experimental/theoretical study of the control of the ring opening in spiropyrane molecules : role of the quantum interferences
F. Gatti

›10:10 (30min)

New Vibronic Calculations for the A2E" State of the Nitrate Radical
J. Stanton

›10:40 (40min)

Coffee break

›11:20 (30min)

Quantum Grow: Converging wave packet calculations from ab initio data
T. Frankcombe

›11:50 (30min)

Variational Gaussian methods for quantum dynamics
M. Bonfanti

›12:20 (1h40)

Lunch

›14:00 (40min)

Ab Initio Potential and Dipole Moment Surfaces and Quantum Calculations of the IR Spectra of the Formic Acid Dimer
J. Bowman

›14:40 (30min)

Computational Dynamics and Spectroscopy: Applications to HFCO
A. Brown

›15:10 (20min)

Transforming high-dimensional potential energy surfaces into sum-of-products form using Monte-Carlo methods
M. Schröder

›15:30 (30min)

Coffee break

›16:00 (30min)

Smolyak scheme and on-the-fly kinetic energy operator, an efficient combination: application to malonaldehyde in 21D
D. Lauvergnat

›16:30 (20min)

IBr branching ratio using excitation and control pulses parallel to molecular axis
C. Sanz-Sanz

›16:50 (2h)

Poster Session

Session

Speech

Logistics

Break

Tour

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