2010 Program
Lecturers and topics
| Prof. Dr. Ria Broer (RUG) | Electronic structure methods for solids (6 hours) |
| Prof. Dr. Frank de Groot (UU) | Theoretical and experimental aspects of X-ray spectroscopy (6 hours)) |
| Dr. Francesco Buda (UL) | Ab initio molecular dynamics: ground and excited states (4 hours) |
| Dr. Johan Padding (IMCN) | Statistical mechanics of liquids (6 hours) |
| Dr. Bernd Ensing (UvA) | Free energy and multiscale methods (4 hours) |
Agenda
| Final announcement: | September 1, 2011 |
| Registration opens: | September 15, 2011 |
| Registration deadline: | November 4, 2011 |
| Pay before: | November 18, 2011 |
| 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 | 16:00-17:00 | 17:00-19:00 | 20:45-22:00 | |
| Monday | Ensing | Broer + Presentations I | |||
| Tuesday | Broer | Ensing | Broer | Buda | Presentations I |
| Wednesday | Padding | Broer | De Groot | Presentations III | |
| Thursday | Padding | Buda | De Groot | Excercises | |
| Friday | Padding | De Groot | departure after lunch |
Student presentations I (Monday)
- 21:45 - 22:05
-
Absorption Spectra of Photosynthetic Complexes from First Principles
Calculations.
Carolin König
Student presentations II (Tuesday)
- 20:45 - 21:05
-
The role of water in ruthenium catalyzed transfer hydrogenation,
a computational study.
Anna Pavlova and Evert Jan Meijer - 21:10 - 21:30
- Monte Carlo calculations of the free energy of ice-like
structures
Alexander Atamas - 21:35 - 21:55
- Thermal expansion and lattice dynamics of carbon nanotubes and other
graphitic systems derived from LCBOPII
Leendertjan Karssemeijer and Annalisa Fasolino
Student presentations III (Wednesday)
- 20:45 - 21:05
- Redox properties of aqueous lumiflavin - a first molecular dynamic study Murat Kilic and Bernd Ensing
- 21:10 - 21:30
- Resonance and Aromaticity of some polycyclic conjugated
systems
Zahid Rashid - 21:35 - 21:55
- Electronic spectroscopy of UO22+, NUO+ and
NUN: An evaluation of Time-Dependent Density Functional Theory for
actinides
Pawel Tecmer, Andre S. P. Gomes, Ulf Ekstrom and Lucas Visscher
Badges
Name badges will be available. Returned badges will be reused.
Last updated: August 10, 2011