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Liquid water: obtaining the right answer for the right reasons.

, , , , , и . SC, ACM, (2009)

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Gerd Aprath

Bettina Mechtild Aprath

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Edoardo Costadura

 

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Enabling a highly-scalable global address space model for petascale computing., , , и . Conf. Computing Frontiers, стр. 207-216. ACM, (2010)Scalable implementations of accurate excited-state coupled cluster theories: application of high-level methods to porphyrin-based systems., , , , и . SC, стр. 72:1-72:10. ACM, (2011)Performance Tuning of Fock Matrix and Two-Electron Integral Calculations for NWChem on Leading HPC Platforms., , , , , и . PMBS@SC, том 8551 из Lecture Notes in Computer Science, стр. 261-280. Springer, (2013)An Evaluation of Two Implementation Strategies for Optimizing One-Sided Atomic Reduction., , и . IPDPS, IEEE Computer Society, (2005)One-sided Communication on the Myrinet-based SMP Clusters using the GM Message-Passing Library., , и . IPDPS, стр. 166. IEEE Computer Society, (2001)Liquid water: obtaining the right answer for the right reasons., , , , , и . SC, ACM, (2009)NWChem: New Functionality., , , , , , , и . International Conference on Computational Science, том 2660 из Lecture Notes in Computer Science, стр. 168-180. Springer, (2003)High Performance Computational Chemistry: NWChem and Fully Distributed Parallel Applications., , , , , , , , , и 5 other автор(ы). PARA, том 1041 из Lecture Notes in Computer Science, стр. 278-294. Springer, (1995)Shared Memory Mirroring for Reducing Communication Overhead on Commodity Networks., , и . CLUSTER, стр. 420-. IEEE Computer Society, (2003)Theory of zwitterionic molecular-based organic magnets, , , , , , и . CHEMICAL PHYSICS LETTERS, 511 (4-6): 294-298 (2011)