5 - Physical, Theoretical & Computational
Computational Quantum Chemistry: Theory and Interactions with Experiment (#10)
Stacey D. Wetmore , University of Lethbridge, Department of Chemistry & Biochemistry, 4401 University Drive, Lethbridge, Alberta, CA, T1K 3M4 | Henry F. Schaefer III | Leo Radom | Peter Schwerdtfeger | Ming Wah (Richard) Wong | Keiji Morokuma | Jiande Gu | Wei-Hai Fang | Wei-Hai Fang | Kwang S. Kim | Alejandro Toro-Labbe
 
Although there have been significant advances in both computational methodologies and associated chemical applications over the past decade, there are several areas that remain challenges to the discipline. The aim of the present symposium is to discuss both recent advances and outstanding challenges in the development of methodologies and their applications to experiment. Furthermore, the Computational Chemistry Symposium held at Pacifichem has traditionally been used to honour distinguished computational quantum chemists. On the occasion of Pacifichem 2010, we will honour Professors Hiroshi Nakatsuji, Kimihiko Hirao and Shigeru Nagase of Japan. All three scientists have made key contributions to the development of novel quantum-chemical theories and their application to significant problems, which have lead to important chemical predictions. Complex methodologies developed by the honourees include analytical solutions to the Schrodinger equation, relativistic quantum chemistry, mutlireference Moller-Plesset theory, and new density functional. These methods have been used to study a range of problems such as surface chemistry, protein modeling, organometallic bonding, catalytic reactions, excited states, new building blocks for molecular design, properties of nano molecules, guest-host interactions, self-assembly and molecular recognition. The symposium will feature over 60 Invited Lectures, 30 Contributed Oral Presentations and 80 Poster Presentations, as well as a Symposium Banquet.
 
Last update: Dec 14, 2010