Preface

Abstract

The Fifth Congress of the International Society for Theoretical Chemical Physics was held at the Renaissance Arts Hotel in New Orleans, Louisiana, during the period July 20–26, 2005. The timing was fortunate; less than 5 weeks after the meeting ended, the city of New Orleans was devastated by Hurricane Katrina and its aftermath. During recent years, great progress has been made in both theory and experiment in chemical phenomena. Significant developments have taken place in the area of large-scale correlation calculations, as well as in density functional theory. Novel scientific applications to nanomaterials, molecular biophysics, surfaces, polymers, etc., using both quantum and statistical mechanics methods are on a dramatic rise. Today the theory of chemistry (theoretical chemical physics) has many different branches, and it is understandable that communication between scientists in the field should and must improve. The main goal of the International Society for Theoretical Chemical Physics, established by Janos Ladik in 1990, is to provide a forum for researchers working in these different disciplines, by organizing an international congress every third year. The strongly interdisciplinary nature of the Society should stimulate progress and strongly promote the development of the whole field of theoretical chemical physics. Promote interaction, exchange of ideas and collaboration on an international level. Provide opportunities for students and postdoctoral research associates to interact with leaders in their fields and to present and discuss their own work. There were nine scientific sessions, each focusing on a different topic and organized by an internationally recognized leader in the field, who started the session with a “perspectives/overview” presentation. In addition, there were three poster sessions, involving all areas of chemical physics, materials science, and molecular biophysics. The nine sessions and the speakers were: Methodology: R. J. Bartlett (organizer), L. Adamowicz, W. D. Allen, S. Hirata, P. E. Hoggan, K. Jankowski, M. Nooijen, P. Piecuch, G. E. Scuseria. Statistical Mechanics: H. J. Kreuzer (organizer), S. Bonev, R. R. Netz, T. Seideman. Noncovalent Interactions: P. Hobza (organizer), M. Havenith, B. Jeziorski, K. Jordan, K. Müller-Dethlefs, M. S. de Vries, T. Zwier. Nanomaterials: J. M. Seminario (organizer), P. B. Balbuena, M. J. Frisch, G. S. Hwang, D. R. Salahub, D. Woolard. Surfaces and Materials: A. M. Chaka (organizer), L. Gagliardi, J. D. Gale, W. A. Goddard III, S. Grabowski, A. E. Masunov, S. L. Price, P. Vashishta, Y. A. Wang. Molecular Biophysics: H. Weinstein (organizer), J. Gao, D. Millar, N. Richards, W. A. Sokalski. Solvation: M. Orozco (organizer), C. L. Brooks III, C. J. Cramer, A. Klamt, B. Mennucci. Density Functional Theory: M. Levy (organizer), P. Ayers, K. J. Burke, N. Gidopoulos, P. Mori-Sánchez, J. P. Perdew, A. Savin, I. Schweigert, S. B. Trickey, W. Yang. Open Problems in Theory: R. J. Bartlett, E. J. Brändas, W. Kohn, J. Ladik, M. Levy, I. Lindgren. We gratefully acknowledge support for the Congress from the following sources: Elsevier; The Donors of the American Chemical Society Petroleum Research Fund; U. S. Army Research Office; Weill Medical College of Cornell University and Intelliome Advanced Sciences LLC. We also greatly appreciate the fine work of UNO Conference Services, which handled all administrative aspects of the Congress. We specifically thank Anne O'Heren Jakob, Director; Patricia Arteaga, Coordinator; and Maria Noveva and Gary Cessna, Program Specialists.