Evert Jan Baerends Symposium

The upcoming seventieth birthday of Evert Jan is an excellent occasion to celebrate his achievements in Theoretical Chemistry. The ACMM is pleased to do this by organizing an international symposium focused on various aspects of Density Functional Theory and its applications in chemistry.

This symposium will take place at the VU University in Amsterdam on Friday, 25 September 2015 and is open to everyone interested. To attend the symposium free of charge, please fill out the registration form at the bottom of this page not later than Tuesday, 22 September.

Invited speakers:

The list of speakers at the symposium consists of the following former PhD and postdocs (in chronicle order of their stay at the VU Theoretical Chemistry group):

Program:

8.30 Registration
9.00 Opening
9.15 Prof. Dr. Robert van Leeuwen, Univ. of Jyvaskyla (Finland)
Fundamental aspects of time-dependent quantum mechanics and density-functional theory
9.50 Prof. Dr. Miquel Solà, Univ. of Girona (Spain)
Influence of the charge and spin state in the aromaticity of fullerenes. Effects on their molecular structure and reactivity
10.25 coffee break
11.00 Dr. Paola Belanzoni, Univ. of Perugia (Italy)
O2 conversion into active sites for ironoxo oxidation catalysis
11.35 Dr. Klaas Giesbertz, VU Univ. Amsterdam (Netherlands)
Invertibility of the one-body density matrix response function
12.10 Dr. Myrta Grüning, Queen’s Univ. Belfast (UK)
Dielectrics in a time-dependent electric field: a real-time approach based on density-polarization functional theory
12.45 lunch
14.00 Dr. Leonardo Bernasconi, STFC Rutherford Appleton Laboratory (UK)
The influence of solvation on the catalytic properties of Fe(IV)oxo compounds
14.35 Prof. Dr. Kasia Pernal, Tech. Univ. of Lodz (Poland)
Density matrix functionals - how far have we gone?
15.10 coffee break
15.40 Prof. Dr. Johannes Neugebauer, Univ. of Münster (Germany)
Part and Whole in Wavefunction/DFT Embedding
16.15 Prof. Dr. Evert Jan Baerends
The Newtonian dream in chemistry
16.45 Closing and Drinks

Registration:

The registration is closed

The Program and Organising Committee:

Paola Gori-Giorgi (VU)
Célia Fonseca Guerra (VU)
Mojgan Heshmat (VU)
Bernd Ensing (UvA)

Amsterdam Center for Multiscale Modeling