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Utilizing high performance computing for chemistry: parallel computational chemistry

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Pacific Northwest National Laboratory, P.O. Box 999, Richland, USA
E-mail: bert.dejong@pnl.gov
Lund University, P.O. Box 124, 221 00 Lund, Sweden
Sandia National Laboratories, P.O. Box 969, Livermore, USA
Jülich Supercomputing Centre, Institute of Advanced Simulation, Research Centre Jülich, D-52425 Jülich, Germany
Uppsala University, P.O. Box 518, SE-751 20 Uppsala, Sweden
E-mail: roland.lindh@kvac.uu.se
Phys. Chem. Chem. Phys., 2010,12, 6896-6920

DOI: 10.1039/C002859B
Received 10 Feb 2010, Accepted 04 May 2010
First published online 08 Jun 2010
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