Contact

Dr. Michael Patzschke
Chemistry of the f-elements
m.patzschkeAthzdr.de
Phone: +49 351 260 - 2989

Dr. Peter Kaden
Chemistry of the f-elements
p.kadenAthzdr.de
Phone: +49 351 260 - 3209

External contact

Dr. Bernd Schimmelpfennig

  KIT-INE
  bernd.schimmelpfennig@kit.edu
  Tel.: +49 721 608-23392

HZDR

The ThUL School in Actinide Chemistry

19th to 23rd of September 2016 in Dresden


Scientific Programme

A number of renowned speakers from the field of theory and experiment are going to introduce the audience to quantum theory in actinide science and show why and how this is important for experimentalists. Among the contributors to this school will be:

  • Hilke Bahmann, Technische Universität Berlin, Department of Chemistry - Development of DFT functionals, local hybrids
  • Alexey Baranov, Max Planck Institute for Chemical Physics of Solid, Abteilung Chemische Metallkunde - Chemical Bonding in Solids, relativistic electron localizability
  • Atsushi Ikeda-Ohno, Helmholtz-Zentrum Dresden-Rossendorf, Institute of Resource Ecology - X-ray absorption spectroscopy, actinide chemistry
  • Nina Huittinen, Helmholtz-Zentrum Dresden-Rossendorf, Institute of Resource Ecology - TRLFS, sorption and incorporation, conditioning
  • Peter Kaden, Helmholtz-Zentrum Dresden-Rossendorf, Institute of Resource Ecology – NMR in actinide chemistry, metal-organic complexation chemistry
  • Andrew Kerridge, University of Lancaster, Department of Chemistry - Multi-reference Calculations for f-elements, treatment of near-degenerate electronic states, spectroscopical data from calculations
  • Louise Natrajan, The University of Manchester, School of Chemistry - Luminescence and fluorescence spectroscopy, two-photon excitation
  • Michael Patzschke, Helmholtz-Zentrum Dresden-Rossendorf, Institute of Resource Ecology - relativistic effects in inorganic chemistry, transition metal complexes, actinides
  • Robert Polly, Karlsruhe Institute of Technology, Institute of Nuclear Waste Disposal (INE) - computational surface-molecule interaction
  • Bernd Schimmelpfennig, Karlsruhe Institute of Technology, Institute of Nuclear Waste Disposal (INE) - Multi-reference calculations with relativistic effects, MD for actinides
  • Michal Straka, Academy of Sciences of the Czech Republic, Institute of Organic Chemistry and Biochemistry - Relativistic effects in heavy elements, computational spectroscopy
  • Michael Trumm, Karlsruhe Institute of Technology, Institute of Nuclear Waste Disposal (INE) - Molecular dynamics for actinides, computational spectroscopy
  • Valérie Vallet, University of Lille, Laboratoire de Physique des Laser, Atomes et Molécules - Electronic structure of heavy elements, spectroscopy, molecular dynamics for actinides

Among the topics covered will be

  • Relativistic quantum chemistry
  • The electronic states of actinides
  • Molecular Dynamics for actinides
  • Spectroscopy in actinide science, theory and experiment
  • Solid state actinide science
  • Nuclear waste treatment

We are planning to have introductions into and exercises with different software packages including

Furthermore there will be a short introduction to point-group theory. A preliminary schedule of the THUL School can be downloaded here.



Contact

Dr. Michael Patzschke
Chemistry of the f-elements
m.patzschkeAthzdr.de
Phone: +49 351 260 - 2989

Dr. Peter Kaden
Chemistry of the f-elements
p.kadenAthzdr.de
Phone: +49 351 260 - 3209