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Tuesday, 16:00 Seminar Room S 8.109

07. 10. 2014

Prof. Dr. Kirk Peterson
Washington State University, USA
New correlation consistent basis sets for f-block elements:
Progress towards accurate ab initio thermochemistry of actinide-containing molecules

04. 11. 2014
Alexander Denzel

University of Stuttgart,
Deuterium Fractionation Covered by Astrochemical Networks

11. 11. 2014
Location changed:
Will be held in lecture roomV 55.22, Pfaffenwaldring 55.

Prof. Dr. Ali Alavi
MPI Stuttgart
Quantum Monte Carlo approach to the Full CI problem

25. 11. 2014
Prof. Dr. Ove Christiansen
University of Aarhus, Denmark
New developments in coupled cluster response theory for electrons and vibrations

Dr. Sandra Luber

University of Zurich, Switzerland
Efficient calculation of spectroscopic properties

Roland Zenn

University of Stuttgart
Influence of the Environment on the Oxidative Deamination of
p-Substituted Benzylamines in Monoamine Oxidase
Dr. Raghunathan Ramakrishnan

University of Basel, Switzerland
Learning errors in chemical space:
Augmenting legacy quantum chemistry with machine learning

13. 01. 2015
Dr. Thomas-Christian Jagau

University of Southern California, Los Angeles
Equation-of-Motion Coupled-Cluster Methods for Metastable States

Prof. Dr. Roberto Marquardt
University of Strasbourg, France
Quantum Dynamics of the Diffusion of Adsorbates

Robin Giereth
University of Stuttgart
Methanolbildung im Weltall - Hydrierungen an
amorphen Eisoberflächen interstellarer Staubpartikel


Nicolai Roth
University of Stuttgart
Analyse und Verbesserung eines astrochemischen Netzwerkes

Dr. Denis Usvyat
University of Regensburg, Germany
The physics of the local correlation scheme

04.03.2015 (Wednesday)
Prof. Dr. Joseph Subotnik
University of Pennsylvania, US
Cheap and Dirty Tricks to Model Nonadiabatic Processes