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Fault-tolerant communication runtime support for data-centric programming models.

, , , , and . HiPC, page 1-9. IEEE Computer Society, (2010)

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Exploiting variability for energy optimization of parallel programs., , , , and . EuroSys, page 9:1-9:16. ACM, (2016)Performance Tuning of Fock Matrix and Two-Electron Integral Calculations for NWChem on Leading HPC Platforms., , , , , and . PMBS@SC, volume 8551 of Lecture Notes in Computer Science, page 261-280. Springer, (2013)A Hartree-Fock Application Using UPC++ and the New DArray Library., , , , , , , and . IPDPS, page 453-462. IEEE Computer Society, (2016)Thread-level parallelization and optimization of NWChem for the Intel MIC architecture., , , and . PMAM@PPoPP, page 58-67. ACM, (2015)Fault-tolerant communication runtime support for data-centric programming models., , , , and . HiPC, page 1-9. IEEE Computer Society, (2010)Barrier elision for production parallel programs., , , , , and . PPOPP, page 109-119. ACM, (2015)From data to analysis: linking NWChem and Avogadro with the syntax and semantics of Chemical Markup Language., , and . J. Cheminformatics, (2013)Open chemistry: RESTful web APIs, JSON, NWChem and the modern web application., , and . J. Cheminformatics, 9 (1): 55:1-55:10 (2017)Performance Evaluation of NWChem Ab-Initio Molecular Dynamics (AIMD) Simulations on the Intel® Xeon Phi™ Processor., , , , and . ISC Workshops, volume 10524 of Lecture Notes in Computer Science, page 404-418. Springer, (2017)Bridging experiment and theory: a template for unifying NMR data and electronic structure calculations., , and . J. Cheminformatics, 8 (1): 8:1-8:9 (2016)