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NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations.

, , , , , , , , , , and . Comput. Phys. Commun., 181 (9): 1477-1489 (2010)

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General atomic and molecular electronic structure system., , , , , , , , , and 3 other author(s). Journal of Computational Chemistry, 14 (11): 1347-1363 (1993)A Collaborative Informatics Infrastructure for Multi-Scale Science., , , , , , , , , and 18 other author(s). Cluster Computing, 8 (4): 243-253 (2005)Poster reception - Component architectures for quantum chemistry: forging new capabilities and insights., , , , , , and . SC, page 137. ACM Press, (2006)Performance and Implementation of Distributed Data CPHF and SCF Algorithms., , , , and . CLUSTER, page 135-. IEEE Computer Society, (2002)Multilevel Parallelism in Computational Chemistry using Common Component Architecture and Global Arrays., , , and . SC, page 23. IEEE Computer Society, (2005)Implementation of dynamical nucleation theory with quantum potentials., , and . Journal of Computational Chemistry, 30 (5): 743-749 (2009)A parallel distributed data CPHF algorithm for analytic Hessians., , , and . Journal of Computational Chemistry, 28 (10): 1685-1694 (2007)A Collaborative Informatics Infrastructure for Multi-scale Science., , , , , , , , , and 17 other author(s). CLADE, page 24. IEEE Computer Society, (2004)The VENUS/NWChem software package. Tight coupling between chemical dynamics simulations and electronic structure theory., , , , , , and . Comput. Phys. Commun., 185 (3): 1074-1080 (2014)A component approach to collaborative scientific software development: Tools and techniques utilized by the Quantum Chemistry Science Application Partnership., , , , and . Scientific Programming, 16 (4): 287-296 (2008)