Winterschool 2018 - Program

31 January - 2 February 2018

Speaker Session Abstract
Professor Marcel Nooijen
University of Waterloo
Canada		 Coupled cluster methods Abstract
Professor Shirin Faraji
Zernike Institute for Advanced Materials
The Netherlands		 Quantum dynamics and its theoretical challenges Abstract
Professor Annia Galano
Universidad Autónoma Metropolitana
Mexico		 Predicting Antioxidant Capacity: Theoretical Chemistry Matching Experiments Abstract
Professor Mark E. Casida
Université Grenoble Alpes
France		 Understanding time-dependent density-functional theory (TD-DFT) Abstract
Dr Edina Rosta
King's College London
UK		 Coarse graining and molecular kinetics from biased simulations Abstract
Professor Cristina Puzzarini
University of Bologna
Italy		 Quantum-chemical calculation of spectroscopic parameters Abstract
Dr James W. Gauld
University of Windsor
Canada		 Computational enzymology Abstract
Professor Gershom (Jan M.L.) Martin
Weizmann Institute of Science
Israel		 Benchmarking reaction energies, barrier heights, and noncovalent interaction energies Abstract
Professor Robert J. Doerksen
University of Mississippi
USA		 Computational medicinal chemistry Abstract
Professor Denis Jacquemin
Université de Nantes
France		 Using TD-DFT to rationalize the optical spectra of organic compounds Abstract
Dr Michael G. Medvedev
Nesmeyanov Institute of Organoelement Compounds
Russian Federation		 Accuracy of DFT self-consistent electron densities Abstract
Benoit Mignolet
University of Liège
Belgium		 Exploring the thioformaldehyde S-oxide sulfine photochemistry and its photoexcitation by ultrashort laser pulses Abstract
Benoit Mignolet
University of Liège
Belgium		 Exploring the thioformaldehyde S-oxide sulfine photochemistry and its photoexcitation by ultrashort laser pulses Abstract
Henrique C. S. Junior
Universidade Federal Fluminense
Brazil		 Molecular Magnetic Compounds: Calculating Magnetic Couplings Using the DFT Method Abstract