Supercomputer simulations in chemistry

Conference · Tue Dec 31 23:00:00 EST 1985

OSTI ID:6089162

Dupuis, M

This book contains papers presented at a symposium on Supercomputer Simulations in Chemistry. Topics included the following: history of computational Quantum chemistry; Japanese supercomputers and molecular orbital calculations; experiences with the Cyber 205 for Quantum chemical calculations; molecular structure calculations on the Cray-XMP and Cyber 205 supercomputers at NAS Ames; large scale computations on loosely coupled array processors algorithms for supercomputers; and supercomputer simulations in solid state chemistry.

• OSTI ID: 6089162
• Report Number(s): CONF-8508156-
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
99 GENERAL AND MISCELLANEOUS
990210 -- Supercomputers-- (1987-1989)
ALGORITHMS
ARRAY PROCESSORS
CHEMISTRY
COMPUTER CALCULATIONS
COMPUTER CODES
COMPUTERIZED SIMULATION
COMPUTERS
DIGITAL COMPUTERS
MATHEMATICAL LOGIC
MECHANICS
MEETINGS
MOLECULAR STRUCTURE
MOLECULES
NASA
NATIONAL ORGANIZATIONS
PARALLEL PROCESSING
PROGRAMMING
QUANTUM MECHANICS
SIMULATION
SUPERCOMPUTERS
US ORGANIZATIONS