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Hard scaling challenges for ab initio molecular dynamics capabilities in NWChem: Using 100,000 CPUs per second.

Authors :
Bylaska, Eric J.
Glass, Kevin
Baxter, Doug
Baden, Scott B.
Weare, John H.
Source :
Journal of Physics: Conference Series; 2009, Vol. 180 Issue 1, p1-1, 1p
Publication Year :
2009

Details

Language :
English
ISSN :
17426588
Volume :
180
Issue :
1
Database :
Complementary Index
Journal :
Journal of Physics: Conference Series
Publication Type :
Academic Journal
Accession number :
97736430
Full Text :
https://doi.org/10.1088/1742-6596/180/1/012028