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Massively parallel quantum chemical density matrix renormalization group method.

, , , , , and . J. Comput. Chem., 42 (8): 534-544 (2021)

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Massively parallel quantum chemical density matrix renormalization group method., , , , , and . J. Comput. Chem., 42 (8): 534-544 (2021)Variational quantum solver employing the PDS energy functional., and . Quantum, (2021)Hybrid quantum-classical approach for coupled-cluster Green's function theory., , , , and . Quantum, (2022)Optimizing the Four-Index Integral Transform Using Data Movement Lower Bounds Analysis., , , , and . PPoPP, page 327-340. ACM, (2017)Toward generalized tensor algebra for ab initio quantum chemistry methods., , and . ARRAY@PLDI, page 46-56. ACM, (2019)Utilizing dataflow-based execution for coupled cluster methods., , , , , , and . CLUSTER, page 296-297. IEEE Computer Society, (2014)Combined quantum-mechanical molecular mechanics calculations with NWChem and AMBER: Excited state properties of green fluorescent protein chromophore analogue in aqueous solution., , , , , and . J. Comput. Chem., 38 (18): 1631-1639 (2017)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 heterogeneous execution of a coupled-cluster model with perturbative triples., , , , , and . SC, page 79. IEEE/ACM, (2020)Object-Oriented Mutation Applied in Common Intermediate Language Programs Originated from C#., and . ICST Workshops, page 342-350. IEEE Computer Society, (2011)