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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)Liquid water: obtaining the right answer for the right reasons., , , , , and . SC, ACM, (2009)Developing a Computational Chemistry Framework for the Exascale Era., , , , , , , , and . Computing in Science and Engineering, 21 (2): 48-58 (2019)NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations., , , , , , , , , and 1 other author(s). Comput. Phys. Commun., 181 (9): 1477-1489 (2010)Test Points for Online Monitoring of Quantum Circuits., , , and . ACM J. Emerg. Technol. Comput. Syst., 18 (1): 14:1-14:19 (2022)Prediction of Atomization Energy Using Graph Kernel and Active Learning., and . CoRR, (2018)Towards Highly scalable Ab Initio Molecular Dynamics (AIMD) Simulations on the Intel Knights Landing Manycore Processor., , and . IPDPS, page 234-243. IEEE Computer Society, (2017)