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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)Parallel implementation of gamma-point pseudopotential plane-wave DFT with exact exchange., , , , and . J. Comput. Chem., 32 (1): 54-69 (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)NWChem: New Functionality., , , , , , , and . International Conference on Computational Science, volume 2660 of Lecture Notes in Computer Science, page 168-180. Springer, (2003)Scalable Parallel Numerical Methods and Software Tools for Material Design., , , , , , and . PPSC, page 219-224. SIAM, (1995)Free energies for degradation reactions of 1,2,3-trichloropropane from ab initio electronic structure theory, , , , , and . J. Phys. Chem. A, (2010)Q# and NWChem: Tools for Scalable Quantum Chemistry on Quantum Computers., , , , , , , , , and 2 other author(s). CoRR, (2019)Periodic Plane-Wave Electronic Structure Calculations on Quantum Computers., , , , , , , , , and . CoRR, (2022)Extending molecular simulation time scales: Parallel in time integrations for high-level quantum chemistry and complex force representations, , and . The Journal of Chemical Physics, 139 (7): 074114 (August 2013)NWChem., , , , , , and . Encyclopedia of Parallel Computing, Springer, (2011)