This award is funded under the American Recovery and Reinvestment Act of 2009 (Public Law 111-5).

Peter Rossky of the University of Texas, Austin, is supported by an award from the Theoretical and Computational Chemistry program to carry out research on quantum mechanical simulation of chemical dynamics in condensed phases. The research focuses on three project areas 1) the study of anionic water clusters, i.e. a water cluster with an extra electron; 2) the further development of an approximate method to include quantum effects in molecular dynamics simulations; 3) the study of the electronic and nuclear dynamics of conjugated organic polymers.

The techniques developed by the PI and his research group are enhancing the ability of molecular modeling to be used as a tool in critical areas such as advanced materials design, pharmeceutical discovery and nanoscale enginering. The study of anionic clusters promises to increase our understanding of important atmospheric processes, while the applications to organic polymers provides insights needed to develop new photovoltaic materials.

Agency
National Science Foundation (NSF)
Institute
Division of Chemistry (CHE)
Type
Standard Grant (Standard)
Application #
0910499
Program Officer
Evelyn M. Goldfield
Project Start
Project End
Budget Start
2009-08-01
Budget End
2013-07-31
Support Year
Fiscal Year
2009
Total Cost
$470,000
Indirect Cost
Name
University of Texas Austin
Department
Type
DUNS #
City
Austin
State
TX
Country
United States
Zip Code
78712