Virtual Winterschool

on Computational Chemistry

Program 2016

Wednesday 3 February 2016

  • 09:00 CET Junming Ho: Calculating pKas and redox potentials. (registration required to view)
  • 17:00 CET D. Salahub: Multiscale modelling of chemical reactions in complex environments. (registration required to view)

Thursday 4 February 2016

Friday 5 February 2016

  • 09:00 CET B. Braida: Basics of Valence Bond theory.
  • 11:30 CET P. Hiberty: An overview of modern ab initio valence bond methods.
  • 14:00 CET C. Esterhuysen: Gold as a Lewis base. (registration required to view)
  • 17:00 CET J. Perdew: When and Why Do Semilocal Density Functionals Work.
  • 18:30 CET Open discussion

Monday 8 February 2016


  • 09:00 CET H. Witek: Mathematics in quantum chemistry: selected topics
  • 11:00 CET P. Ayers: Strong correlation models. (registration required to view)
  • 13:00 CET E. Rebolini: Molecular excitation energies with range-separated DFT.
  • 17:00 CET R. Crespo-Otero: Unravelling photochemical mechanisms with computational methods.

Tuesday 9 February 2016

Organizing Comittee

Organizing committee

Webdesign and maintenance by Jurgen Gaeremyn.

We thank F.M. Bickelhaupt for his contributions to the organisation.

Winning Single Figure Presentations

golden winner

Wiley, publisher of scientific literature, generously offered to award three prizes to the best single figure presentations. The 35 Single Figure Presentations which were presented during this event got quite some attention and skilled feedback - often leading to new insights or cross-pollinating with others. Picking 3 winners out of these wasn't an easy job. Nevertheless, the jury decided to award the prizes to the authors of these three posters: