Presidential Young Investigator Award:  Theoretical         Studies of Gas-Surface Reactions
{'Code': '03090004', 'Directorate': {'Abbreviation': 'MPS', 'LongName': 'Direct For Mathematical & Physical Scien'}, 'Division': {'Abbreviation': 'CHE', 'LongName': 'Division Of Chemistry'}}
{'SignBlockName': 'Andrew Komornicki', 'PO_EMAI': None, 'PO_PHON': None}
This Presidential Young Investigator Award in the Theoretical                   and Computational Chemistry Program centers on the use of                       theoretical techniques to predict the chemical behavior of                      adsorbates on metal and semiconductor surfaces.  A unique                       combination of both ab initio quantum chemistry methods, to                     determine the fundamental potential energies of interaction,                    and classical molecular dynamics methods, to simulate the                       progress of individual reaction steps, will be used to address                  these problems.                                                                                                                                                 The research will focus on such systems as (i) bare metal and                   main group clusters; (ii) atomic and molecular adsorbates on                    those clusters; (iii) catalytic reactions including oxidation                   and hydrogenation of hydrocarbons, ammonia synthesis and                        decomposition, and reduction of sulphur and nitrogen oxides;                    and (iv) synthesis of electronic materials via chemical vapor                   deposition, molecular beam epitaxy, and chemical etching.  The                  ultimate goal of these studies is to learn how to predict                       optimal reaction conditions for development of new electronic                   materials and for the design of new catalysts.
{'FirstName': 'Emily', 'LastName': 'Carter', 'PI_MID_INIT': 'A', 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'Emily A Carter', 'EmailAddress': 'eac@princeton.edu', 'NSF_ID': '000438494', 'StartDate': '08/19/1993', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
{'Name': 'University of California-Los Angeles', 'CityName': 'LOS ANGELES', 'ZipCode': '900244200', 'PhoneNumber': '3107940102', 'StreetAddress': '10889 WILSHIRE BLVD STE 700', 'StreetAddress2': None, 'CountryName': 'United States', 'StateName': 'California', 'StateCode': 'CA', 'CONGRESSDISTRICT': '36', 'CONGRESS_DISTRICT_ORG': 'CA36', 'ORG_UEI_NUM': 'RN64EPNH8JC6', 'ORG_LGL_BUS_NAME': 'UNIVERSITY OF CALIFORNIA, LOS ANGELES', 'ORG_PRNT_UEI_NUM': None}
{'Name': 'University of California-Los Angeles', 'CityName': 'LOS ANGELES', 'StateCode': 'CA', 'ZipCode': '900244200', 'StreetAddress': '10889 WILSHIRE BLVD STE 700', 'CountryCode': 'US', 'CountryName': 'United States', 'StateName': 'California', 'CountryFlag': '1', 'CONGRESSDISTRICT': '36', 'CONGRESS_DISTRICT_PERF': 'CA36'}
{'Code': '1954', 'Text': 'QUANTUM CALCULATIONS'}
{'url': 'https://www.nsf.gov/awardsearch/download?DownloadFileName=1988&All=true', 'xml': '8858209.xml'}