In work jointly supported by NIH. DOE, 

 and NSF, researchers at New York 

 University, Sloan Kettering Cancer 

 Center, and Oak Ridge National 

 Laboratory are elucidating the effects of 

 biochemically activated environmental 

 chemicals, such as benzo-a-pyrene. a 

 material present in automobile exhaust 

 gases, bound to DNA. The figures illus- 

 trate calculations of two such deriva- 

 tives that are mirror images of one 

 another. (+) and (-) anti-benzo-a- 

 pyrene-diol-epoxide [BPDEj. bound to a 

 segment of normal nght-handed DNA. 

 There is a profound difference in the 

 health effects of these two cases, the 

 (+) BPDE case (red figure) is tumori- 

 genic while the (-) BPDE is benign. 



and chaired by the NASA HPCC program director, to 

 evaluate proposals for the DOE Grand Challenge com- 

 putational research projects. The selected projects are 

 cofunded by other DOE programs and by industrial part- 

 ners and include DOE laboratory, university, industry, 

 and other HPCC agency participation. The six multi- 

 year Grand Challenge projects selected in FY 1992 are: 



3 Computational Chemistry - to effectively paral- 

 lelize chemistry codes important to the study of 

 several critical environmental problems. This pro- 

 ject is cofunded by four industrial partners and the 

 DOE Chemical Sciences program. 



3 Computational Structural Biology - for research in 

 computational methods important to understanding 

 the components of genomes and to develop a par- 

 allel programming environment for structural biolo- 

 gy. This project is cofunded by the DOE Health 

 and Environmental Research program, an NSF 

 Science and Technology Center, a biomedical 

 industrial firm, and a university foundation. 



-I Mathematical Combustion Modeling - to develop 

 adaptive parallel algorithms for computational fluid 

 dynamics and apply these methods to combustion 

 models important to private sector and govern- 

 ment scientists and engineers. This project is 

 cofunded with the DOE Applied Mathematics and 

 the Chemical Sciences programs. 



^Quantum Chromodynamics Calculations - to 

 develop lattice gauge algorithms on massively par- 

 allel machines. This project is cofunded by the 

 DOE and NSF high energy physics programs and 

 involves particle physicists from a dozen universi- 

 ties. 



^Oil Reservoir Modeling - to construct efficient 

 algorithms for parallel systems to simulate fluid 

 flow through permeable media. The work is based 

 on reservoir models from the University of Texas 

 that are widely used by the oil industry and is 

 cofunded by DOE Environmental Sciences, an 

 industry consortium of 26 companies, two comput- 

 er vendors, NSF, and the State of Texas. 



-I The Numerical Tokamak Project - to develop and 

 integrate particle and fluid plasma models on mas- 

 sively parallel machines as part of a multidisci- 

 plinary study of Tokamak fusion reactors. The 



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