High performance computational chemistry: An overview of NWChem a distributed parallel application
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David E. Bernholdt | Tjerk P. Straatsma | Robert J. Harrison | Jeffrey A. Nichols | Eric J. Bylaska | Jarek Nieplocha | Theresa L. Windus | Michel Dupuis | Ricky A. Kendall | Edoardo Aprà | Jialin Ju | George I. Fann | Adrian T. Wong | J. Nieplocha | D. Bernholdt | E. Bylaska | T. Windus | R. Harrison | J. Nichols | G. Fann | M. Dupuis | E. Aprá | R. Kendall | A. Wong | Jialin Ju | T. Straatsma
[1] Andrew G. Glen,et al. APPL , 2001 .
[2] George I. Fann,et al. Parallel inverse iteration with reorthogonalization , 1993 .
[3] G. G. Stokes. "J." , 1890, The New Yale Book of Quotations.
[4] Inderjit S. Dhillon,et al. Application of a New Algorithm for the Symmetric Eigenproblem to Computational Quantum Chemistry , 1997, PPSC.
[5] David E. Bernholdt,et al. High performance computational chemistry: Towards fully distributed parallel algorithms , 1994 .
[6] R. J. Littlefield,et al. Performance of a fully parallel dense real symmetric eigensolver in quantum chemistry applications , 1995 .
[7] John C. Slater,et al. Quantum Theory of Molecules and Solids , 1951 .
[8] Michael Mikolajczak,et al. Designing And Building Parallel Programs: Concepts And Tools For Parallel Software Engineering , 1997, IEEE Concurrency.
[9] J. H. Wilkinson. The algebraic eigenvalue problem , 1966 .
[10] David E. Bernholdt,et al. High Performance Computational Chemistry: NWChem and Fully Distributed Parallel Applications , 1995, PARA.
[11] John C. Slater,et al. Quantum Theory of Molecules and Solids Vol. 4: The Self‐Consistent Field for Molecules and Solids , 1974 .