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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)Real-Time Krylov Theory for Quantum Computing Algorithms., , , , , and . Quantum, (July 2023)Composable Programming of Hybrid Workflows for Quantum Simulation., , , , , , , , and . ICSA Companion, page 110-116. IEEE, (2021)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)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)Algebraic Compression of Quantum Circuits for Hamiltonian Evolution., , , , , , and . CoRR, (2021)Numerical Circuit Synthesis and Compilation for Multi-State Preparation., , and . QCE, page 768-778. IEEE, (2023)Prediction of Atomization Energy Using Graph Kernel and Active Learning., and . CoRR, (2018)