Optimization and Standardization of Chemistry Packages for  use on Supercomputers
{'Code': '05090000', 'Directorate': {'Abbreviation': 'CSE', 'LongName': 'Direct For Computer & Info Scie & Enginr'}, 'Division': {'Abbreviation': 'OAC', 'LongName': 'Office of Advanced Cyberinfrastructure (OAC)'}}
{'SignBlockName': 'Robert G. Voigt', 'PO_EMAI': None, 'PO_PHON': None}
This proposal is for the support of an effort to further the                    development of selected Chemistry packages commonly used on                     supercomputers.  The codes chosen for initial work are Gaussian                 82/86, which was initially developed at Carnegie Mellon, and                    CHARMM, which came out of the Chemistry department at Harvard.                  These codes are responsible for a significant amount of the                     utilization at all of the NSF sponsored supercomputer centers and               improvements will thus be of general benefit to the Chemistry                   community.  The development is directed toward better                           vectorization on CRAY supercomputers; toward the utilization of                 efficient specialized subroutines for common numerical                          algorithms; and toward the utilization of the solid state storage               device.  The work is a cooperative effort among the PSC and the                 original authors of these codes.
{'FirstName': 'Michael', 'LastName': 'Levine', 'PI_MID_INIT': 'J', 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'Michael J Levine', 'EmailAddress': 'levine@psc.edu', 'NSF_ID': '000311748', 'StartDate': '06/01/1988', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
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[{'Code': '1956', 'Text': 'STATISTICAL AND SIMULATIONS'}, {'Code': '4080', 'Text': 'ADVANCED COMP RESEARCH PROGRAM'}]
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