High performance computing equipment for environmental remediation modeling and first principles simulation of materials properties. Final report

Technical Report · Mon Aug 01 04:00:00 EDT 1994

DOI:https://doi.org/10.2172/10186503· OSTI ID:10186503

Glimm, J; Lindquist, W B

A 56-node Intel Paragon parallel computer was purchased with major support provided by this grant, and installed in July, 1993, in the Center for Scientific Computing, Department of Applied Mathematics and Statistics, SUNY - Stony Brook. The targeted research funded by this proposal consists of work to support the Stony Brook and Brookhaven National Laboratory contributions to the Partnership in Computational Science (PICS) program; namely environmental remediation modeling of ground water transport, Car-Parrinello first principles molecular dynamics calculations, and the supporting development of the parallelized VolVis graphics package. Research accomplishments to date for this targeted research is discussed in {section}2. This computer has also enabled or enhanced many other projects conducted both by the Center for Scientific Computing and by the Department of Applied Mathematics and Statistics. These other projects include two- and three-dimensional gas dynamics using front tracking, other molecular dynamics applications, kidney modeling, and global optimization techniques applied to DNA-protein interactions. Technical summaries of these additional projects are presented in {section}3. The targeted research includes users from the Departments of Applied Mathematics and Computer Science at SUNY - Stony Brook, as well as staff scientists from the Departments of Physics and Applied Sciences at Brookhaven National Laboratory. The additional projects involve university faculty from the above departments as well as the Departments of Physics and Chemistry. Regular users of this machine currently include 10 faculty members, 8 postdoctoral fellows, more that 12 PhD students and approximately 8 staff members from BNL.

• Research Organization: State Univ. of New York, Stony Brook, NY (United States)
• Sponsoring Organization: USDOE, Washington, DC (United States)
• DOE Contract Number: FG02-93ER25158
• OSTI ID: 10186503
• Report Number(s): DOE/ER/25158--T1; ON: DE95000497
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360103
54 ENVIRONMENTAL SCIENCES
540220
550200
59 BASIC BIOLOGICAL SCIENCES
99 GENERAL AND MISCELLANEOUS
990200
ALGORITHMS
BIOCHEMISTRY
CHEMICALS MONITORING AND TRANSPORT
COMPUTERS
FLOW MODELS
GROUND WATER
HYDRODYNAMICS
LIQUID METALS
MATHEMATICS AND COMPUTERS
MECHANICAL PROPERTIES
MOLECULAR BIOLOGY
MULTIPHASE FLOW
PARALLEL PROCESSING
RESEARCH PROGRAMS