1999 United States-Latin America-Canada-Caribbean Workshop on Molecular and Materials Sciences: Theoretical and Computational Aspects
Abstract
This workshop brought together advanced doctoral students, research scientists and teaching Faculty members of US, Latin-American, Canadian, and Caribbean institutions to review recent developments in the theoretical and computational aspects of molecular and materials sciences. The emphasis was on theoretical methods and computer programs of general applicability with mid-range computing facilities. The workshop took place at the Instituto de Fisica, Universidad Nacional Autonoma de Mexico, en Cuernavaca, Mexico, on February 24 to 26, 1999. A total of 49 oral presentations were discussed, with the participation of 44 senior scientists and 39 students. Many of the presentations related to the calculation of properties of materials, and computational methods applicable to them. Among these, presentations were made on the nonlinear optical properties of polymers, metal clusters and inorganic materials of interest in catalysis, epitaxial growth of solid surfaces and their study with ion bombardment, carbon nano foam formation by laser ablation, and the accurate calculation of thermochemical properties. A related area was the computer modelling of compounds of interest in biological systems. Some contributions in these areas involved studies of photosynthetic reaction centers, compounds of importance in bioenergetics, and properties of liquid water. The workshop was supported, in addition to the Office of Naval Research, by the University of Florida Division of Sponsored Research, and by the Quantum Theory Project, an Institute for Theory and Computation in Molecular and Materials Sciences in its College of Liberal Arts and Sciences.
Document Details
- Document Type
- Technical Report
- Publication Date
- Feb 01, 1999
- Accession Number
- ADA362464
Entities
People
- David A. Micha
- Keith Runge
Organizations
- University of Florida