Virtual Winterschool

on Computational Chemistry

Program 2018

Confirmed speakers

The following speakers have confirmed to be speaking on the 2018 edition of the Winter School on Compuational Chemistry:

  • Evert Jan Baerends, Free University of Amsterdam, The Netherlands: The physical meaning of orbitals and orbital energies in Kohn-Sham DFT
  • Mark Casida, Université Grenoble-Alpes, France: Understanding TD-DFT
  • Robert Doerksen, University of Mississippi, USA: Computational medical chemistry
  • Annia Galano, Universidad Autónoma Metropolitana-Iztapalapa, Mexico: How computational chemistry can impact health science
  • James Gauld, University of Windsor, Canada: Computational enzymology
  • Denis Jacquemin, University of Nantes, France: Using TD-DFT to rationalize the optical spectra of organic compounds
  • Gershom (Jan) Martin, Weizmann Institute of Science, Israel: Benchmarking reaction energies and barrier heights
  • Debashis Mukherjee, Indian Association for the Cultivation of Science, India: TBA
  • Marcel Nooijen, University of Waterloo, Canada: Coupled cluster methods
  • Cristina Puzzarini, University of Bologna, Italy: Quantum-chemical calculation of spectroscopic parameters
  • Krishnan Raghavachari, Indiana University, USA: Fragment-based methods in quantum chemistry
  • Edina Rosta, King's College London, UK: Free Energy calculation methods for QM/MM catalytic reactions
  • Alfredo Simas, Universidade de Federal Pernambuco, Brasil: Semiempirical methods

 Note: The titles are only indicative at this stage and are liable to change.

Wednesday 31 January 2018


Thursday 1 February 2018


Friday 2 February 2018


Special thanks...

laser groupepsrcbristol

CNRS France