Prof. Matthias Krack

Personal Data:

Name: Matthias Krack, Dr. rer. nat.,

born on August 24, 1963 in Hannover, Germany

Nationality: German

Official address: Paul Scherrer Institute (PSI), Nuclear Energy and Safety Research Department (NES), Laboratory for Reactor Physics and Systems Behaviour (LRS), OHSA/D07, 5232 Villigen PSI, Switzerland, Phone: +41 (0)56 310 58 56, FAX: +41 (0)56 310 23 27

Academic Education:

• Pre-Diploma in chemistry, University of Hannover, 1985
• Diploma in chemistry, University of Hannover, 1989
• Dr. rer. nat. in Theoretical Chemistry, University of Hannover, 1993

Employment History:

• Research assistant (Analytical Chemistry), University of Hannover, 1986–1987
• Research assistant (Theoretical Chemistry), University of Hannover, 1988–1989
• Research associate (Theoretical Chemistry), University of Hannover, 1990–1998
• Research associate at the Max Planck Institute for Solid State Research Stuttgart (Department Parrinello), 1998–2001
• Senior research associate (Oberassistent) at the Swiss Federal Institute of Technology (ETH Zurich), Department of Chemistry and Applied Biosciences, 2001–2007
• Materials scientist at the Paul Scherrer Institute (PSI), since September 1, 2007

Main Research Activities:

• Atomistic simulation of nuclear materials especially fuel materials like uranium dioxide
• Development and application of empirical potential and electronic structure methods especially density functional theory (DFT) based methods
• Development of the open source code CP2K (http://www.cp2k.org)
• Study of transition metal compounds (e.g. pyrite) and phase-change materials (e.g. GST)
• New techniques for accelerated (ab initio) molecular dynamics simulations