From owner-chemistry@ccl.net Fri Sep 30 00:59:01 2011 From: "Peter Knowles KnowlesPJ|*|Cardiff.ac.uk" To: CCL Subject: CCL: Advanced Methods and Applications in Quantum Chemistry: Stuttgart, Ger Message-Id: <-45556-110930005551-21095-62EiRe2DRUvfAAOGsrDjPA|,|server.ccl.net> X-Original-From: "Peter Knowles" 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, highlighting state- 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 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 Schtz, K. R. Shamasundar, Toru Shiozaki, Hermann Stoll, Hans-Joachim Werner Organizing Committee: Hans-Joachim Werner (Universitt Stuttgart) Peter Knowles (Cardiff University) Fred Manby (University of Bristol) http://www.amaqc2012.org registration^_^amaqc2012.org