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

 

28.04.2015
Dr. Werner Győrffy
CANCELLED
University of Stuttgart
Accurate calculation of molecular properties using explicitly correlated wave functions

05.05.2015
Iva Angelova
CANCELLED
BASF
Modelling self-assembled monolayers for organic electronics

12.05.2015
Dr. Yuri Aoto
University of Stuttgart
Some adventures on icMRCC theory

19.05.2015
Laura Nunes dos Santos Comprido
University of Heidelberg
An Intrinsic Bond Orbital Perspective On Gold Complexes: Translating Computational Results Into An Experimentalist’s Language

16.06.2015
Prof. Dr. Jacques Lievin
University of Brussels, Belgium
Ab initio study of neutral and ionic systems of astrophysical interest

30.06.2015
Dr. Subhendu Roy
University of Stuttgart
Reaction Mechanism of Salicylate Dioxygenase from QM/MM Simulations

07.07.2015
Prof. Dr. Christian Ochsenfeld
University of Munich (LMU)
Fast quantum-chemical methods for describing energetics and response properties of large molecules

Wednesday at 2 pm!
08.07.
2015
Phillipp Hallmen
University of Stuttgart
Training of neural networks for the interpolation of potential energy surfaces

14.07.2015
Prof. Dr. Tucker Carrington Jr.
Queen's University, Canada
Computing spectra with an Eckart frame to refine and test a methane potential

21.07.2015
Dr. Qianli Ma
University of Stuttgart
to be announced

30.07.2015
Seiichiro Ten-no
Kobe University, Japan
Explicitly correlated F12 calculations of large molecules using massively parallel computers

08.09.2015
Marie-Sophie Ruß
University of Stuttgart
Atom Tunneling in NH3+ + H2 --> NH4+ + H: a Reaction with Astrochemical Relevance

At 4 pm!
15.09.2015
David Coughtrie
University of Bristol, United Kingdom
Quantum Statistical Mechanics using Thermostated Gaussian Wave Packets