2014
2013
2011
Erik Deumens, Victor F. Lotrich, Ajith S. Perera, Rodney J. Bartlett, Nakul Jindal, and Beverly A. Sanders (2011):
The Super Instruction Architecture, Elsevier BV, Annual Reports in Computational Chemistry, pp179-191
Erik Deumens, Victor F. Lotrich, Ajith Perera, Mark J. Ponton, Beverly A. Sanders, and Rodney J. Bartlett (2011):
Software Design of ACES III with the Super Instruction Architecture, Wiley Interdisciplinary Reviews: Computational Molecular Science, Wiley-Blackwell, Vol 1, Num 6, pp895-901
Robert W. Molt, Thomas Watson, Victor F. Lotrich, and Rodney J. Bartlett (2011):
RDX Geometries, Excited States, and Revised Energy Ordering of Conformers via MP2 and CCSD(T) Methodologies: Insights Into Decomposition Mechanism, Journal of Physical Chemistry A, American Chemical Society, Vol 115, Num 5, pp884-890
2010
Beverly A. Sanders, Rod Bartlett, Erik Deumens, Victor Lotrich, and Mark Ponton (2010):
A Block-Oriented Language and Runtime System for Tensor Algebra with Very Large Arrays, Institute of Electrical & Electronics Engineers, SC '10: Proceedings of the 2010 ACM/IEEE International Conference for High Performance Computing, Networking, Storage and Analysis, New Orleans, Louisiana, U.S.A.
V. F. Lotrich, J. M. Ponton, A. S. Perera, E. Deumens, R. J. Bartlett, and B. A. Sanders (2010):
Super Instruction Architecture of Petascale Electronic Structure Software: The Story, Molecular Physics, Informa UK Limited, Vol 108, Num 21-23, pp3323-3330
2009
Sep 1, 2009
"In the planning world, we work with policymakers to design studies of particular outcomes," says Virginia Tech's Keith Bisset. Months of planning, collaboration, and modeling might go into strategies for what a city, county, or entire country might do when facing a disease outbreak.
"But now we also have tools that allow for a quick turnaround. We can do a situational assessment that shows them what a particular [outbreak] might look like tomorrow or next week as it unfolds. They describe the situation, and we can tell them the outcomes of various interventions," he says.
This spring Bisset and a group from Virginia Tech joined forces with the Pittsburgh Supercomputing Center's Shawn Brown and Douglas Roberts and Diglio Simoni of North Carolina's Research Triangle Institute to win one of the first Petascale Computing Resource Allocations awards.
With that support and with computing time on Blue Waters, they expect to model global epidemics, as well as smaller-scale outbreaks. Instead of looking at a few hundred million people, as the team members do with their current codes, they'll look at more than 6 billion people.
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