[molpro-user] Advanced Methods and Applications in Quantum Chemistry: Stuttgart, Germany, March 26 – 30, 2012

[Advanced Methods and Applications in Quantum Chemistry]

Advanced Methods and Applications in Quantum Chemistry

An international workshop
Stuttgart, Germany, March 26 – 30, 2012

Scope: The workshop will highlight recent developments and state-of-the-art applications with special focus on the MOLPRO package of ab initio programs. The morning sessions are devoted to lectures and demonstrations, while in the afternoons 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 properties, including density functional theory, coupled cluster theory, multireference methods, response methods, symmetry adapted perturbation theory, explicit correlation, local correlation, hybrid methods, highly accurate predictions for thermochemistry, molecular structure determination, intermolecular interactions, simulations of IR, UV, and NMR spectra, photodissociation processes, non-adiabatic dynamics, and QM/MM simulations of reactions in enzymes.

Speakers:
Jeremy Harvey, Andreas Hesselmann, Gerald Knizia, Peter Knowles, Tatiana Korona, Fred Manby, Ricardo Mata, Todd Martinez, Kirk Peterson, Guntram Rauhut, Martin Schütz, K. R. Shamasundar, Toru Shiozaki, Hermann Stoll, Hans-Joachim Werner

Organizing Committee:
Hans-Joachim Werner (Universität Stuttgart)
Peter Knowles (Cardiff University)
Fred Manby (University of Bristol)

http://www.amaqc2012.org
registration at amaqc2012.org