2017 Program
Lecturers and topics
| Dr. Gilles de Wijs (RUN) |
Electronic structure calculations for solids with application to NMR spectroscopy (5 hours) |
| Dr. Ludo Juurlink (UL) |
Application of spectroscopic and related techniques in surface science for unravelling heterogeneously catalyzed reaction mechanisms - background and recent examples (5 hours) |
| Dr.
Ivo Filot (TU/e) |
How to write your own ab initio electronic structure program (5 hours + hands-on computer practicum) |
| Dr. Annemieke
Petrignani (UvA and RU) |
Introduction to astro-spectroscopy (4 hours) |
| Dr.
Bernd Ensing (UvA) |
Nuclear quantum dynamics simulation (4 hours) |
Agenda
| Registration opens: | September 4, 2017 |
| Registration deadline: | November 10, 2017 |
| Pay before: | November 14, 2017 |
| Schedule: | Monday 11 Dec (first lecture starts at 17:00) |
| Friday 15 Dec
(last lecture ends at 13:00, departure 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.
A schedule of the lectures and student presentations will follow...
Program
| 9:00-11:00 | 11:00-13:00 | 17:00-19:00 | 20:45-22:00 | |
| Monday | Ensing | Presentations I | ||
| Tuesday | Petrignani | Filot | Ensing | Presentations II |
| Wednesday | Petrignani | Filot | Filot/ De Wijs` | Presentations III |
| Thursday | De Wijs | Juurlink | Filot | Excercises |
| Friday | De Wijs | Juurlink | departure after lunch |
Student presentations I (Monday)
- 20:45 - 21:05
- Nonorthogonal configuration interaction to study excitation transfer
R.K. Kathir, Ria Broer, Remco Havenith, Coen de Graaf - 21:10 - 21:30
- Calculating Resonant Inelastic X-Ray scattering of Small Molecules
Adam Fouda and Nicholas Besley
Student presentations II (Tuesday)
- 20:45 - 21:05
- On the structure of ϴ-Fe3C and its catalytic activity towards CO-dissociation
Bart Klumpers R.J.P. Broos, and I.A.W. Filot - 21:10 - 21:30
- Towards the understanding of the electrochemistry on the PdML/Pt(111) electrode using DFT
Laura Granda Marulanda , Xiaoting Chen, Ian McCrum, Federico Calle-Vallejo, Marc Koper - 21:35 - 21:55
- Overview of electronic friction coefficients using LDFA
Nick Gerrits and Geert-Jan Kroes
Student presentations III (Wednesday)
- 20:45 - 21:05
- Environmental Effects on the UV-Vis spectra of chlorophyll in the LHCII protein complex
Souloke Sen, Pablo Lopez Tarifa, Nicolleta Ligouri, Roberta Croce, Lucas Visscher - 21:10 - 21:30
- Methane on transition metal surfaces -- A journey
towards a chemically accurate functional
Davide Migliorini , H Chadwick, F. Nattino, and G.J. Kroes
Last updated: November, 2017