Direct to:

 

Faculty of Chemistry

MOLPRO

ECP Pseudopotentials

Mathe-Online

PES Database

Journal of Chemical Physics

Molecular Physics

Journal of Chemical Theory and Computation

Deutsche Forschungsgem. DFG

University Library

SimTech

Excellence Initiative


 

Seminar

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


09.12.2014
Dr. Sandra Luber

University of Zurich, Switzerland
Efficient calculation of spectroscopic properties


16.12.2014
14:00:
Roland Zenn

University of Stuttgart
Influence of the Environment on the Oxidative Deamination of
p-Substituted Benzylamines in Monoamine Oxidase
16:00:
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


20.01.2015
Prof. Dr. Roberto Marquardt
University of Strasbourg, France
Quantum Dynamics of the Diffusion of Adsorbates


27.01.2015
Robin Giereth
University of Stuttgart
Methanolbildung im Weltall - Hydrierungen an
amorphen Eisoberflächen interstellarer Staubpartikel


03.02.2015

Nicolai Roth
University of Stuttgart
Analyse und Verbesserung eines astrochemischen Netzwerkes


10.02.2015
Dr. Denis Usvyat
University of Regensburg, Germany
The physics of the local correlation scheme


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