2019 Program
Lecturers and topics
| Prof. Dr. Ellen
Backus (U-Vienna) |
Static, 2D-, and time-resolved vibrational spectroscopy in bulk and at interfaces (5 hours) |
| Dr. Klaas Giesbertz (VU) |
(Time-dependent) density [matrix] functional theory (5 hours) |
| Prof. Dr.
Herma Cuppen (RUN) |
Introduction in Astrochemistry (5 hours) |
| Prof. Dr. Jean-Sébastien Caux (UvA) | From Path Integrals to Field Theory (5 hours) |
| Prof. Dr.
Titus van Erp (NTNU Trondheim/Norway) |
Transition Path Sampling methods (2 hours) |
| Dr.
Bernd Ensing (UvA) |
Path collective variables to find reaction mechanisms (2 hours) |
Program
| 9:00-11:00 | 11:00-13:00 | 17:00-19:00 | 20:45-22:00 | |
|---|---|---|---|---|
| Monday | Backus | Presentations I | ||
| Tuesday | Backus | Backus / Caux | Caux | Presentations II |
| Wednesday | Caux | Cuppen | Giesbertz | Presentations III |
| Thursday | Cuppen | Cuppen / Giesbertz | Giesbertz | Excercises |
| Friday | Van Erp | Ensing | departure after lunch |
Student presentations I (Monday)
- 20:30 - 20:50
- A variational approach to London dispersion interactions without density distortion
Derk Kooi and Paola Gori Giorgi - 21:55 - 21:15
- Towards chemically accurate simulation of dissociation of H2 on Ni(111)
Theophile Tchakoua, Geert-Jan Kroes, and Mark Somers - 21:20 - 21:40
- Stop-motion movies of single DNA Holliday junctions with fret fluorescence spectroscopy and rapid temperature cycle
Zohre Eskandari Alughare and Michel Orrit
Student presentations II (Tuesday)
- 20:30 - 20:50
- Efficient photo-generation of mobile free charge carriers in 2D hybrid PDI-perovskite nanoplatelets
Magnus Fridriksson, Maria C. Gelvez-Rueda, Ward van der Stam, and Ferdinand Grozema - 21:55 - 21:15
- Investigation of the Strong-interaction limit of an adiabatic connection in Hartree-Fock theory
Timothy Daas, Vuckovic, S., Gori-Giorgi, P., Seidl, M., Giesbertz, K., Kooi, D.P. and Musslimani, Z. - 21:20 - 21:40
- Supramolecular dyes and nanoparticles for ultra-sensitive fluorescence imaging
Laura Kacenauskaite and Bo W. Laursen
Student presentations III (Wednesday)
- 20:30 - 20:50
- Choosing a variational principle for accurate excited states in QMC
Alice Cuzzocrea, Anthony Scemama, Wim Briels, Saverio Moroni, Claudia Filippi - 21:55 - 21:15
- ORR on a Cu(II) complex of 3,5-diamino-1,2,4-triazole
Sarah Fonseca da Silva and Leandro Moreira de Campos Pinto - 21:20 - 21:40
- First-principles micro-kinetic modelling of methane-to-ethylene conversion on Mo-ZSM5 zeolite
Francesco Cannizzaro and Ivo Filot