Dr. Thom Dunning is supported by a grant from the Theoretical and Computational Chemistry Program to organize a workshop on High Performance Computing in Chemistry: Opportunities and Challenges. The workshop will be held from March 8 through March 10, 1993 at the National Institutes of Health Campus in Bethesda, MD. The workshop will focus on three primary issues: 1) survey of current work in chemistry on parallel computers with a special emphasis on massively parallel computers; 2) details of chemical problems which are likely to benefit substantially from the use of massively parallel computers; and 3) impediments, both programming and otherwise, which might prevent the migration of existing codes to, and the development of new codes for, massively parallel computers. %%% In order for chemists to make the best use of the opportunities afforded by the emerging massively parallel computer architectures, they will have to overcome a number of obstacles which are primarily associated with crude operating systems and specialized algorithm development. It is important during this early stage of development that chemists working in the area share their experiences with each other and with computer scientists in an effort to surmount these obstacles. The workshop which is supported by this grant will help to disseminate this sort of information to a large community of computational chemists, and help to circumvent several of the difficulties which chemists may have in migrating their computational codes to massively parallel computers.
