Symposium in honour of

Ria Broer

Symposium

'Quantum Chemistry in the Solid State:

Magnetic Coupling and Excited States'

To honour Ria Broer, we organise a symposium on Magnetism and Excited States in Materials Science on Friday 31 August and Saturday 01 September 2012.

Symposium Site

This symposium takes place at Het Paleis in Groningen (Former chemistry building of the University, address: Boterdiep 111, 9712 LM Groningen). It can be reached from Schiphol by train to Groningen (about 2 hours and 50 minutes, one-way ticket costs 23.50 euro), at walking distance from the station (~2 km). Timetables for the train can be found at http://www.ns.nl. A busstop is at walking distance (bus 11, to the central station).

Preliminary Program

Time slot
Speaker
Title
Friday 31 August 2012
10.00 - 11.00
Registration
11.00 - 11.15 Opening  
11.15 - 12.45 Session 1: Chair Otilia Mo
11.15 - 11.45 Paul Bagus (University of North Texas) Spin-Orbit Coupling And Magnetic Moments In Actinide Oxides
11.45 - 12.15 Karin Fink (Karlsruhe Institute of Technology) Spins and magnetism in transition metal compounds
12.15 - 12.45 Paul van Loosdrecht (University of Groningen) Ultrafast magnetism in EuO
12.45 - 14.30
Lunch
14.30 - 16.00
Session 2: Chair Rosa Caballol
14.30 - 15.00 Tjerk Straatsma (CSM, Pacific Northwest) On Eliminating Synchronous Communication in Molecular Simulations to Improve Scalability
15.00 - 15.30 Carmen Calzado (University of Sevilla) Polynuclear transition metal systems studied with extended CI calculations
15.30 - 16.00 Christel Marian (Univ. of Düsseldorf) Absorption and Emission Characteristics of Phosphorescent Ir (III) and Ru(II) Complexes
16.00 - 16.30
Coffee and Posters
16.30 - 18.00
Session 3: Chair Ad van der Avoird
16.30 - 17.00 Carmen Sousa (University of Barcelona) Photocycle of the light-induced spin crossover in [Fe(bipy)3]2+
17.00 - 17.30 Frank de Groot (University of Utrecht) First-principle descriptions of X-ray absorption spectra of transition metal systems
17.30 - 18.00 Lucas Visscher (Free University Amsterdam) Understanding the heaviest metals: applying the relativistic quantumchemical toolbox
19.00 - 22.00
Dinner
Saturday 01 September 2012
9.15 - 10.45 Session 4: Chair Manuel Yañez
9.15 - 9.45 Marco de Vos (Astron) The challenge of Big-Data - learning from the LOFAR experience
9.45 - 10.15 Nathalie Guihéry (University of Toulouse) A strategy to determine appropriate active orbitals and accurate magnetic couplings in organic magnetic systems
10.15 - 10.45 Wibe de Jong (EMSL, Pacific Northwest) Modeling actinide redox chemistry in solution and at mineral surfaces
10.45 - 11.15
Coffee and posters
11.15 - 12.45 Session 5: Chair Kris van Alsenoy
11.15 - 11.45 Kristine Pierloot (University of Leuven) Coordination of NO to metal heme and heme-related systems studied with multiconfigurational perturbation theory
11.45 - 12.15 Liviu Hozoi (IFW, Dresden) Excitation energies and magnetic couplings in correlated Ir 5d oxides
12.15 - 12.45 Jean-Paul Malrieu (University or Toulouse) Extracting the maximum information from symmetry-broken DFT treatments of magnetic systems
12.45 - 14.15
Lunch
14.15 - 15.45 Session 6: Chair Ulf Wahlgren
14.15 - 14.45 Georg Lefkidis (University of Kaiserslautern) Degrees of freedom in laser-induced, magneto-optical processes.
14.45 - 15.15 Andreas Savin (University of Paris) On choosing the best density functional approximation
15.15 - 15.45 Evert-Jan Baerends (Free University Amsterdam) Density matrix functional theory of Van der Waals interactions
15.45 - 16.00 Ria Broer Closing remarks
16.00 - 19.00
Reception

 

Registration and Prices

Registration before 30 August 2012 by sending an email to: R.W.A. Havenith. Conference costs, 50 euro per day.

Hotels in the neighbourhood

Pictures of the event

Download all pictures (721 MB)

The organisers

Wim Nieuwpoort (University of Groningen)
Coen de Graaf (University of Tarragona/University of Groningen)
Petra Rudolf (University of Groningen)
Remco Havenith (University of Groningen)