CCL: Advanced Methods and Applications in Quantum Chemistry: Stuttgart,
- From: "Peter Knowles"
- Subject: CCL: Advanced Methods and Applications in Quantum
Chemistry: Stuttgart, Ger
- Date: Fri, 30 Sep 2011 00:55:47 -0400
Sent to CCL by: "Peter Knowles" [KnowlesPJ^-^Cardiff.ac.uk]
Advanced Methods and Applications in Quantum Chemistry
An international workshop
Stuttgart, Germany, March 26 30, 2012
Scope: The workshop will cover all of the main methods in the MOLPRO package,
of-the-art applications as well as theoretical developments that will be
released in a new version in
2012. The morning sessions are devoted to lectures and demonstrations, while in
hands-on exercises will take place. The workshop will take place at the
University of Stuttgart, and
computer facilities for the exercises will be provided. The participants can
also use their own laptops.
All participants are invited to present posters about their own work at the
workshop. The methods
and applications cover a wide range of molecular simulations and molecular
density functional theory, coupled cluster theory, multireference methods,
symmetry adapted perturbation theory, explicit correlation, local correlation,
hybrid methods, highly
accurate predictions for thermochemistry, molecular structure determination,
interactions, simulations of IR, UV, and NMR spectra, photodissociation
dynamics, and QM/MM simulations of reactions in enzymes.
Jeremy Harvey, Andreas Hesselmann, Gerald Knizia, Peter Knowles, Tatiana Korona,
Ricardo Mata, Todd Martinez, Kirk Peterson, Guntram Rauhut, Martin Schtz, K. R.
Shiozaki, Hermann Stoll, Hans-Joachim Werner
Hans-Joachim Werner (Universitt Stuttgart)
Peter Knowles (Cardiff University)
Fred Manby (University of Bristol)