2017 Program

Lecturers and topics

Dr. Gilles de Wijs
Electronic structure calculations for solids with application to NMR spectroscopy (5 hours)
Dr. Ludo Juurlink
Application of spectroscopic and related techniques in surface science for unravelling heterogeneously catalyzed reaction mechanisms - background and recent examples (5 hours)
Dr. Ivo Filot
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
Nuclear quantum dynamics simulation (4 hours)


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)


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...


  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

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