Seminare 2012

03.12.2012

H. P. Lüthi, ETH Zürich, Schweiz
t.b.a.

31.10.2012

Tod Pascal,
The Two-Phase Thermodynamics method of rapidly evaluating the entropy and free energy of condensed phase systems

04.10.2012

Manuel Dömer, École Polytechnique Fédérale de Lausanne
Low Temperature Gas Phase Structures and IR Spectra of Amino Acids and Polypeptides Predicted by DFT Methods

02.10.2012

Michele Ceriotti,
Nuclear quantum effects by colored-noise thermostats

16.08.2012

Hossam Eigabarty, Institut für Physik, Freie Universtät Berlin
EPR Lineshapes from Ab Initio MD Simulations

25.05.2012

Vladimir Rybkin, Department of Chemistry, University of Oslo
Insights into the Dynamics of Evaporation and Proton Migration in Protonated Water Clusters

14.05.2012

Rustam Khaliullin, Institut für Physikalische Chemie, Universität Mainz
The ALMO Story: from "Absolutely" to "Almost" Localized Molecular Orbitals

10.05.2012

Robin Haunschild, Institut für Physikalische Chemie, Karlsruher Institut für Technologie
Modern Explicitly Correlated Wavefunction Methods

19.04.2012

Iliana Bryjko, Universität Nottingham, Großbritannien
Circular Dichroism of DNA and RNA

01.03.2012

Toru Shiozaki, Institut für Theoretische Chemie, Universität Stuttgart, Deutschland
Towards Predictive Eletronic Structure Theories for Photodynamics