2010
- NWChem: A comprehensive and scalable open-source solution for large scale molecular simulationsMarat Valiev, Eric J. Bylaska, N. Govind, K. Kowalski, Tjerk P. Straatsma, H. J. J. Van Dam, D. Wang, Jarek Nieplocha, Edoardo Aprà, Theresa L. Windus, Wibe A. deJong. cphysics, 181(9):1477-1489, 2010. [doi]
2009
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2006
- A Component Architecture for High-Performance Scientific ComputingDavid E. Bernholdt, Benjamin A. Allan, Robert C. Armstrong, Felipe Bertrand, Kenneth Chiu, Tamara Dahlgren, Kostadin Damevski, Wael R. Elwasif, Thomas Epperly, Madhusudhan Govindaraju, Daniel S. Katz, James Arthur Kohl, Manojkumar Krishnan, Gary Kumfert, Jay Walter Larson, Sophia Lefantzi, Michael J. Lewis, Allen D. Malony, Lois C. McInnes, Jarek Nieplocha, Boyana Norris, Steven G. Parker, Jaideep Ray, Sameer Shende, Theresa L. Windus, Shujia Zhou. ijhpca, 20(2):163-202, 2006. [doi]
- Blue Gene system software - Design and implementation of a one-sided communication interface for the IBM eServer Blue Gene® supercomputerMichael Blocksome, Charles Archer, Todd Inglett, Patrick McCarthy, Michael Mundy, Joe Ratterman, A. Sidelnik, Brian E. Smith, George Almási, José G. Castaños, Derek Lieber, José E. Moreira, Sriram Krishnamoorthy, Vinod Tipparaju, Jarek Nieplocha. sc 2006: 120 [doi]
2005
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2002
2001
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1996
- Toward high-performance computational chemistry: II. A scalable self-consistent field programRobert J. Harrison, Martyn F. Guest, Ricky A. Kendall, David E. Bernholdt, Adrian T. Wong, Mark Stave, James L. Anchell, Anthony C. Hess, Rik J. Littlefield, George L. Fann, Jarek Nieplocha, Greg S. Thomas, David Elwood, Jeffrey L. Tilson, Ron L. Shepard, Albert F. Wagner, Ian T. Foster, Ewing L. Lusk, Rick Stevens. jcc, 17(1):124-132, 1996. [doi]
1995
- High Performance Computational Chemistry: NWChem and Fully Distributed Parallel ApplicationsMartyn F. Guest, Edoardo Aprà, David E. Bernholdt, Herbert A. Früchtl, Robert J. Harrison, Ricky A. Kendall, R. A. Kutteh, X. Long, John B. Nicholas, J. A. Nicholas, H. L. Tylor, Adrian T. Wong, G. J. Fann, Richard J. Littlefield, Jarek Nieplocha. para 1996: 278-294
1994