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Combined quantum-mechanical molecular mechanics calculations with NWChem and AMBER: Excited state properties of green fluorescent protein chromophore analogue in aqueous solution.

, , , , , and . Journal of Computational Chemistry, 38 (18): 1631-1639 (2017)

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Toward generalized tensor algebra for ab initio quantum chemistry methods., , and . ARRAY@PLDI, page 46-56. ACM, (2019)Optimizing the Four-Index Integral Transform Using Data Movement Lower Bounds Analysis., , , , and . PPOPP, page 327-340. ACM, (2017)Utilizing dataflow-based execution for coupled cluster methods., , , , , , and . CLUSTER, page 296-297. IEEE Computer Society, (2014)Neural Network Contour Error Prediction of a Bi-axial Linear Motor Positioning System., , and . ICINCO (1), page 802-809. SciTePress, (2019)Combined quantum-mechanical molecular mechanics calculations with NWChem and AMBER: Excited state properties of green fluorescent protein chromophore analogue in aqueous solution., , , , , and . Journal of Computational Chemistry, 38 (18): 1631-1639 (2017)Efficient Implementation of Many-Body Quantum Chemical Methods on the Intel® Xeon Phi Coprocessor., , and . SC, page 674-684. IEEE, (2014)Object-Oriented Mutation Applied in Common Intermediate Language Programs Originated from C#., and . ICST Workshops, page 342-350. IEEE Computer Society, (2011)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)Scalable implementations of accurate excited-state coupled cluster theories: application of high-level methods to porphyrin-based systems., , , , and . SC, page 72:1-72:10. ACM, (2011)TAMM: Tensor Algebra for Many-body Methods., , , , , , and . CoRR, (2022)