(GC8)Computational Studies in Molecular Geochemistry and Biogeochemistry
EMSL Project ID
1835a
Abstract
The ability to predict the transport and transformations of contaminants within the subsurface is critical for decisions on virtually every waste disposal option, from remediation technologies such as in-situ bioremediation to evaluations of the safety of nuclear waste repositories, facing the Department of Energy (DOE). With this fact in mind, the DOE has recently sponsored a series of workshops on the development of a Strategic Simulation Plan on applications of high performance computing to national problems of significance to the DOE. One of the areas selected for application was in the area of subsurface transport and environmental chemistry. Within the SSP on subsurface transport and environmental chemistry several areas were identified where applications of high performance computing could potentially significantly advance our knowledge of contaminant fate and transport. Within each of these areas molecular level simulations were specifically identified as a key capability necessary for the development of a fundamental mechanistic understanding of complex biogeochemical processes.
Project Details
Project type
Capability Research
Start Date
2002-12-31
End Date
2004-03-09
Status
Closed
Released Data Link
Team
Principal Investigator
Team Members