Acquisition of a Minisupercomputer for Simulation Chemistry
{'Code': '03090002', 'Directorate': {'Abbreviation': 'MPS', 'LongName': 'Direct For Mathematical & Physical Scien'}, 'Division': {'Abbreviation': 'CHE', 'LongName': 'Division Of Chemistry'}}
{'SignBlockName': 'Joseph Reed', 'PO_EMAI': None, 'PO_PHON': None}
The recent successes of theoretical chemistry with improved                     programs and faster computers have generated the need for still                 faster machines.  Experienced users wish to solve larger and                    larger problems of more and more relevance to the experimental                  chemist.  Similarly, experimental chemists, seeing these                        results, are compelled to become new users.  The acquisition of                 state-of-the-art computing equipment is essential to the modern                 chemistry department carrying out frontier research.                                                                                                            The Department of Chemistry at Columbia University will use                     this award from the Chemistry Shared Instrumentation Program to                 help upgrade an extant Convex minisupercomputer.  Among the                     areas of chemical research that will be enhanced by the upgrade                 are as follows:                                                                                                                                                 1) Quantum solvation and dynamics                                               2) Theory of reactions in solution                                              3) Molecular dynamics in constrained geometries                                 4) Real-time many-body quantum dynamics via phase-space                            representations of density operators                                         5) Frequency locking and dragging                                               6) Spectroscopy and dynamics of isolated molecules or ions in                      crystals, glasses, liquids, or on surfaces                                   7) Molecular recognition                                                        8) Polyether antibiotic synthesis                                               9) Graphically based molecular modeling.
[{'FirstName': 'W. Clark', 'LastName': 'Still', 'PI_MID_INIT': None, 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'W. Clark Still', 'EmailAddress': None, 'NSF_ID': '000268637', 'StartDate': '01/01/1989', 'EndDate': None, 'RoleCode': 'Co-Principal Investigator'}, {'FirstName': 'Bruce', 'LastName': 'Berne', 'PI_MID_INIT': 'J', 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'Bruce J Berne', 'EmailAddress': 'bb8@columbia.edu', 'NSF_ID': '000162886', 'StartDate': '01/01/1989', 'EndDate': None, 'RoleCode': 'Principal Investigator'}, {'FirstName': 'Philip', 'LastName': 'Pechukas', 'PI_MID_INIT': None, 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'Philip Pechukas', 'EmailAddress': 'pechukas@chem.columbia.edu', 'NSF_ID': '000185167', 'StartDate': '01/01/1989', 'EndDate': None, 'RoleCode': 'Co-Principal Investigator'}, {'FirstName': 'James', 'LastName': 'Skinner', 'PI_MID_INIT': 'L', 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'James L Skinner', 'EmailAddress': 'skinner@chem.wisc.edu', 'NSF_ID': '000452877', 'StartDate': '01/01/1989', 'EndDate': None, 'RoleCode': 'Co-Principal Investigator'}]
{'Name': 'Columbia University', 'CityName': 'NEW YORK', 'ZipCode': '100277922', 'PhoneNumber': '2128546851', 'StreetAddress': '615 W 131ST ST', 'StreetAddress2': 'MC 8741', 'CountryName': 'United States', 'StateName': 'New York', 'StateCode': 'NY', 'CONGRESSDISTRICT': '13', 'CONGRESS_DISTRICT_ORG': 'NY13', 'ORG_UEI_NUM': 'F4N1QNPB95M4', 'ORG_LGL_BUS_NAME': 'THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK', 'ORG_PRNT_UEI_NUM': None}
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{'Code': '1938', 'Text': 'Chemical Instrumentation'}
{'url': 'https://www.nsf.gov/awardsearch/download?DownloadFileName=1988&All=true', 'xml': '8815603.xml'}