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Eric Jon Bylaska

Affiliations: 
Pacific Northwest National Laboratory, Richland, WA, United States 
Area:
Electronic Structure Development, Quantum Chemistry, Geochemistry, Environmental Chemistry, High Performance Computing
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Parents

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James T. Waber research assistant 1989-1990 Los Alamo’s National Laboratory, Northwestern University, Michigan Technological University
 (My Senior Research Advisor at MTU physics)
John H. Weare grad student 1991-1998 UCSD, Chemistry
Andrew R. Felmy research scientist 1998-2016 PNNL

Children

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Collaborators

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David A. Dixon collaborator 1998-
Robert J. Harrison collaborator 1998-
Theresa L. Windus collaborator 1998-
Paul G. Tratnyek collaborator 2001- OHSU (Microtree)
Hannes Jónsson collaborator 2004-
Paul S Bagus collaborator 2005-
Karol Kowalski collaborator 2006-
Jeff R. Hammond collaborator 2009-
Thom H. Dunning collaborator 2015-
So Hirata collaborator 2003-2006
William H. Casey collaborator 2004-2015
Stuart A. Bogatko collaborator 2000-2017
BETA: Related publications

Publications

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Mejia-Rodriguez D, Aprà E, Autschbach J, et al. (2023) NWChem: Recent and Ongoing Developments. Journal of Chemical Theory and Computation
Gong L, Chen J, Hu Y, et al. (2023) Degradation of Chloroform by Zerovalent Iron: Effects of Mechanochemical Sulfidation and Nitridation on the Kinetics and Mechanism. Environmental Science & Technology
Bylaska EJ, Tratnyek PG, Torralba-Sanchez TL, et al. (2022) Computational Predictions of the Hydrolysis of 2,4,6-Trinitrotoluene (TNT) and 2,4-Dinitroanisole (DNAN). The Journal of Physical Chemistry. A
Bylaska EJ, Song D, Bauman NP, et al. (2021) Quantum Solvers for Plane-Wave Hamiltonians: Abridging Virtual Spaces Through the Optimization of Pairwise Correlations. Frontiers in Chemistry. 9: 603019
Kowalski K, Bair R, Bauman NP, et al. (2021) From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape. Chemical Reviews
Bauman NP, Liu H, Bylaska EJ, et al. (2020) Toward Quantum Computing for High-Energy Excited States in Molecular Systems: Quantum Phase Estimations of Core-Level States. Journal of Chemical Theory and Computation
Aprà E, Bylaska EJ, de Jong WA, et al. (2020) NWChem: Past, present, and future. The Journal of Chemical Physics. 152: 184102
McNeill AS, Dallas BH, Eiler JM, et al. (2020) Reaction Energetics and C Fractionation of Alanine Transamination in the Aqueous and Gas Phases. The Journal of Physical Chemistry. A
Torralba-Sanchez TL, Bylaska EJ, Salter-Blanc AJ, et al. (2020) Reduction of 1,2,3-trichloropropane (TCP): pathways and mechanisms from computational chemistry calculations. Environmental Science. Processes & Impacts
Bylaska EJ, Waters K, Hermes ED, et al. (2020) A Filon-like integration strategy for calculating exact exchange in periodic boundary conditions: a plane-wave DFT implementation Materials Theory. 4
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