2018 Program
Lecturers and topics
| Prof. Dr. Shirin Faraji (RUG) |
Excited-state non-adiabatic dynamics (5 hours) |
| Dr. Jörg Meyer (UL) |
Machine learning in computational chemistry: foundations and applications (5 hours + hands-on computer practicum) |
| Dr.
Elizabeth von Hauff (VU) |
Hybrid solar energy conversion (5 hours) |
| Dr. Tijs
Karman (U-Durham) |
Molecular quantum scattering (5 hours) |
| Dr.
Bernd Ensing (UvA) |
Introduction to correlation, Kirkwood-Buff theory, Green's functions, and Onsager's regression theory (4 hours) |
Agenda
| Registration opens: | September 3, 2018 |
| Registration deadline: | November 5, 2018 |
| Pay before: | November 12, 2018 |
| Schedule: | Monday 10 Dec (first lecture starts at 17:00) |
| Friday 14 Dec
(last lecture ends at 13:00, departure after lunch) |
Program
| 9:00-11:00 | 11:00-13:00 | 17:00-19:00 | 20:45-22:00 | |
| Monday | Ensing | Presentations I | ||
| Tuesday | Von Hauff | Karmans | Ensing | Presentations II |
| Wednesday | Von Hauff | Von Hauff / Karmans | Karmans | Presentations III |
| Thursday | Faraji | Meyer | Meyer | Excercises |
| Friday | Faraji | Faraji / Meyer | departure after lunch |
Student presentations I (Monday)
- 20:30 - 20:50
- A comparison of empirical force fields and density functional theory for modeling ice
Soroush Rasti and Jörg Meyer - 21:55 - 21:15
- Exploring defects in CsPbBr3 perovskite nanocrystals
Stephanie ten Brinck, Francesco Zaccaria, and Ivan Infante. - 21:20 - 21:40
- Toward simultaneous enhanced sampling along adaptive paths of collective variables in multiple transition channels,
Alberto Pérez de Alba Ortíz and Bernd Ensing
Student presentations II (Tuesday)
- 20:30 - 20:50
- Automated wave function generation for accurate excited states in quantum Monte Carlo
Alice Cuzzocrea, Claudia Filippi, Saverio Moroni, and Anthony Scemama - 21:55 - 21:15
- Machine Learning: The Hubbard Model
Niels Billiet, Stijn De Baerdemacker, and Guillaume Acke - 21:20 - 21:40
- Photoinduced electron transfer into a dye-sensitized TiO2 surface
Jan Paul Menzel and Francesco Buda
Student presentations III (Wednesday)
- 20:30 - 20:50
- Interplay of structural dynamics and optical response of chlorosomes: the importance of dynamic disorder
Xinmeng Li, Francesco Buda, Huub J.M. de Groot, and G. J. Agur. Sevink - 21:55 - 21:15
- Molecular dynamics of van der Waals systems
Matthieu Besemer, Zhi Gao, Guoqiang Tang, Tim de Jongh, Quan Shuai, Ad van der Avoird, Gerrit Groenenboom, and Bas van de Meerakker - 21:20 - 21:40
- Computation of the dielectric constant and its importance for organic photovoltaics
Selim Sami, Ria Broer, and Remco Havenith
Last updated: 27 November 2018