Winterschool 2018 - Program

Cristina Puzzarini, University of Bologna, Italy: Quantum-chemical calculation of spectroscopic parameters (log in to access)

Edina Rosta, King's College London, UK: Coarse graining and molecular kinetics from biased simulations (log in to access) 

Benoit Mignolet: Exploring the thioformaldehyde S-oxide sulfine photochemistry and its photoexcitation by ultrashort laser pulses (log in to access)

Robert Doerksen, University of Mississippi, USA: Computational Medicinal Chemistry

Gershom (Jan) Martin, Weizmann Institute of Science, Israel: Benchmarking reaction energies and barrier heights (log in to access)

Mark Casida, Université Grenoble-Alpes, France: Understanding TD-DFT

Annia Galano, Universidad Autónoma Metropolitana-Iztapalapa, Mexico: Predicting Antioxidant Capacity: Theoretical Chemistry Matching Experiments (log in to access)

Michael Medvedev: Accuracy of DFT self-consistent electron densities (log in to access)

Denis Jacquemin, University of Nantes, France: Using TD-DFT to rationalize the optical spectra of organic compounds (log in to access)

Shirin Faraji, University of Groningen, Netherlands: Quantum dynamics and its theoretical challenges (log in to access)

James Gauld, University of Windsor, Canada: Computational enzymology (log in to access)

Henrique J: Molecular Magnetic Compounds: Calculating magnetic couplings using DFT Method (log in to access)

Marcel Nooijen, University of Waterloo, Canada: Coupled cluster methods (log in to access)

Edina Rosta, RETAKE King's College London, UK: Coarse graining and molecular kinetics from biased simulations (log in to access)

With special thanks to

 

 

CNRS France
Royal Society of Chemistry
The Elsevier Foundation