Acquisition and Support of Computational Hardware at        Carnegie Mellon University
{'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}
Computational chemistry plays an increasingly important role in                 the development of our "insight" into chemical and biological                   systems.  Much of this change has been fueled by the                            development of new methods in computational statistical                         mechanics, e.g., molecular simulation methods for fluids and                    proteins, and quantum chemistry.  To insure continued progress                  in this area, access to modern computers is vital.                                                                                                              This award from the Chemistry Shared Instrumentation Program                    and the Instrumentation and Instrument Development Program will                 help the Department of Chemistry at Carnegie Mellon University                  acquire, maintain and operate a mini-supercomputer.  The areas                  of research that will be enhanced by the acquisition include:                                                                                                   1) Quadratic configuration interaction                                          2) Development and evaluation of direct SCF methods                             3) Development of thermodynamic simulation methods and their                       application to biologically significant problems                             4) Development of theory of long-range electron transfer in                        thermally mobile biological media.
[{'FirstName': 'John', 'LastName': 'Pople', 'PI_MID_INIT': 'A', 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'John A Pople', 'EmailAddress': None, 'NSF_ID': '000206657', 'StartDate': '03/01/1989', 'EndDate': None, 'RoleCode': 'Co-Principal Investigator'}, {'FirstName': 'Charles', 'LastName': 'Brooks', 'PI_MID_INIT': 'L', 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'Charles L Brooks', 'EmailAddress': 'brookscl@umich.edu', 'NSF_ID': '000331075', 'StartDate': '03/01/1989', 'EndDate': None, 'RoleCode': 'Principal Investigator'}]
{'Name': 'Carnegie-Mellon University', 'CityName': 'PITTSBURGH', 'ZipCode': '152133815', 'PhoneNumber': '4122688746', 'StreetAddress': '5000 FORBES AVE', 'StreetAddress2': None, 'CountryName': 'United States', 'StateName': 'Pennsylvania', 'StateCode': 'PA', 'CONGRESSDISTRICT': '18', 'CONGRESS_DISTRICT_ORG': 'PA18', 'ORG_UEI_NUM': 'U3NKNFLNQ613', 'ORG_LGL_BUS_NAME': 'CARNEGIE MELLON UNIVERSITY', 'ORG_PRNT_UEI_NUM': 'U3NKNFLNQ613'}
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[{'Code': '1108', 'Text': 'INSTRUMENTAT & INSTRUMENT DEVP'}, {'Code': '1938', 'Text': 'Chemical Instrumentation'}]
{'url': 'https://www.nsf.gov/awardsearch/download?DownloadFileName=1988&All=true', 'xml': '8822064.xml'}