Program
Lecturers and topics
| Prof. Wim Briels (TU-Twente) | Relativity and gravitation (5 hours) |
| Prof. Luuk Visscher (VU) | Diracs equation and other prerequisites for achieving high accuracy in quantum chemistry (5 hours) |
| Prof. Claudia Filippi (TU-Twente) | Solving the Schrödinger equation with random walks: Introduction to quantum Monte Carlo methods (5 hours) |
| Prof. Marloes Groot (VU) | Spectroscopy on photoactive proteins (5 hours) |
| Dr. Bernd Ensing (UvA) | Electrochemistry and simulation of charge transfer reactions (4 hours) |
Agenda
| Schedule: | Monday 12 Dec (first lecture starts at 17:00) |
| Friday 16 Dec
(last lecture ends at 13:00, depart after lunch) |
Program
The first lecture will start on Monday at 17:00. The last lecture ends at 13:00 on Friday, we depart after lunch.
| 9:00-11:00 | 11:00-13:00 | 17:00-19:00 | 20:45-22:00 | |
| Monday | Briels | Presentations I | ||
| Tuesday | Briels | Filippi | Visscher | Presentations II |
| Wednesday | Briels/Visscher | Filippi | Groot | Presentations III |
| Thursday | Groot | Groot/Filippi | Ensing | Excercises |
| Friday | Ensing | Visscher | departure after lunch |
Student presentations I (Monday)
- 20:45 - 21:05
-
Friction at the atomic scale, an approach with the Frenkel-Kontorova model
Joost van den Ende, Annalisa Fasolino and Astrid de Wijn - 21:10 - 21:30
- Molecular surface diffusion on interstellar dust grains
L.J. Karssemeijer and H.M. Cuppen - 21:35 - 21:55
- Catalytic Methane Activation by d10 Transition Metal Complexes
Lando P. Wolters and F. Matthias Bickelhaupt
Student presentations II (Tuesday)
- 20:45 - 21:05
- A new simulation technique to compute the mechanism and free energy landscape for complex reactions
Grisell Diaz Leines and Bernd Ensing - 21:10 - 21:30
- Van der Waals interaction in DMFT
Lukasz Mentel and Evert Jan Baerends - 21:35 - 21:55
- Towards an active site mimic of F0F1-ATPase: Proton transfer from glutamic acid to arginine
Sander Jaeqx and Anouk M. Rijs
Student presentations III (Wednesday)
- 20:45 - 21:05
- Evolution of magnetic and NLO properties in large (anti)aromatic open-shell systems
Raphaël Carion and Benoît Champagne - 21:10 - 21:30
- Full CI Quantum Monte Carlo
Csaba Daday, Claudia Filippi and Ali Alavi - 21:35 - 21:55
- An extention of the Hirshfeld method to open shell systems
using fractional occupations
Davy Geldof and C. Van Alsenoy
Badges
Name badges will be available. Returned badges will be reused.
Last updated: November 23, 2011