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Summary: Parameter Scan of an Effective Group Difference Pseudopotential Using Grid Computing 1
Parameter Scan of an Effective Group Difference
Pseudopotential Using Grid Computing
Wibke SUDHOLT and Kim K. BALDRIDGE
Department of Chemistry & Biochemistry and San Diego
Supercomputer Center, University of California, San Diego,
9500 Gilman Drive, Mail Code 0505, La Jolla, CA 92093-0505, USA
David ABRAMSON, Colin ENTICOTT and Slavisa GARIC
School of Computer Science and Software Engineering,
Monash University, Clayton, Victoria, 3800 Australia
Received 26 June 2003, revised 2 December 2003
Abstract Computational modeling in the health sciences is still very
challenging and much of the success has been despite the difficulties in-
volved in integrating all of the technologies, software, and other tools
necessary to answer complex questions. Very large-scale problems are
open to questions of spatio-temporal scale, and whether physico-chemical
complexity is matched by biological complexity. For example, for many
reasons, many large-scale biomedical computations today still tend to use
rather simplified physics/chemistry compared with the state of knowledge
of the actual biology/biochemistry. The ability to invoke modern grid
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