2019 Program

Lecturers and topics

Prof. Dr. Ellen Backus
Static, 2D-, and time-resolved vibrational spectroscopy in bulk and at interfaces (5 hours)
Dr. Klaas Giesbertz
(Time-dependent) density [matrix] functional theory (5 hours)
Prof. Dr. Herma Cuppen
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
Path collective variables to find reaction mechanisms (2 hours)


  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