This Meta Center project represents a continuation of MCA93S020. It requests cpu time on vector and parallel computing platforms at Pittsburgh and Cornell in order to continue our ongoing quantum and classical simulation studies of conducting fluids, expanded-metal compounds, quantum solids, fluids and clusters, phase equilibria and quasi two-dimensional molecular assemblies and biological systems. The simulations involve Car-Parrinello Density Functional Theory, classical and quantum Feynman Path Integral molecular dynamics and Monte Carlo codes all developed in-house and optimized to run efficiently on vector and parallel platforms.
The aim i s to illucidate and to characterize phase behavior in complex molecular assemblies. These projects are currently funded under NSF/CHE and NSF/DMR and NIH/GM.

Agency
National Institute of Health (NIH)
Institute
National Center for Research Resources (NCRR)
Type
Biotechnology Resource Grants (P41)
Project #
5P41RR006009-10
Application #
6221047
Study Section
Project Start
1999-08-01
Project End
2000-07-31
Budget Start
1998-10-01
Budget End
1999-09-30
Support Year
10
Fiscal Year
1999
Total Cost
Indirect Cost
Name
Mellon Pitts Corporation (Mpc Corp)
Department
Type
DUNS #
City
Pittsburgh
State
PA
Country
United States
Zip Code
15213
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