2010 Program

Lecturers and topics

Prof. Dr. Ria Broer (RUG) Electronic structure methods for solids (6 hours)
Prof. Dr. Frank de Groot (UU) Theoretical and experimental aspects of X-ray spectroscopy (6 hours))
Dr. Francesco Buda (UL) Ab initio molecular dynamics: ground and excited states (4 hours)
Dr. Johan Padding (IMCN) Statistical mechanics of liquids (6 hours)
Dr. Bernd Ensing (UvA) Free energy and multiscale methods (4 hours)


Final announcement:September 1, 2011
Registration opens:September 15, 2011
Registration deadline:November 4, 2011
Pay before:November 18, 2011
Schedule:Monday 12 Dec (first lecture starts at 17:00)
 Friday 16 Dec (last lecture ends at 13:00,
depart 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.

9:00-11:00 11:00-13:00 16:00-17:00 17:00-19:00 20:45-22:00
Monday       Ensing Broer +
Presentations I
Tuesday Broer Ensing Broer Buda Presentations I
Wednesday PaddingBroer  De Groot Presentations III
Thursday PaddingBuda  De Groot Excercises
Friday PaddingDe Groot departure after lunch    

Student presentations I (Monday)

21:45 - 22:05
Absorption Spectra of Photosynthetic Complexes from First Principles Calculations.
Carolin König

Student presentations II (Tuesday)

20:45 - 21:05
The role of water in ruthenium catalyzed transfer hydrogenation, a computational study.
Anna Pavlova and Evert Jan Meijer
21:10 - 21:30
Monte Carlo calculations of the free energy of ice-like structures
Alexander Atamas
21:35 - 21:55
Thermal expansion and lattice dynamics of carbon nanotubes and other graphitic systems derived from LCBOPII
Leendertjan Karssemeijer and Annalisa Fasolino

Student presentations III (Wednesday)

20:45 - 21:05
Redox properties of aqueous lumiflavin - a first molecular dynamic study Murat Kilic and Bernd Ensing
21:10 - 21:30
Resonance and Aromaticity of some polycyclic conjugated systems
Zahid Rashid
21:35 - 21:55
Electronic spectroscopy of UO22+, NUO+ and NUN: An evaluation of Time-Dependent Density Functional Theory for actinides
Pawel Tecmer, Andre S. P. Gomes, Ulf Ekstrom and Lucas Visscher


Name badges will be available. Returned badges will be reused.

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