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 E. 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

With special thanks to

 CECAM

 

The Elsevier Foundation