Eric J Bylaska (E J Bylaska)

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 20

Top Topics

Electron Transfer

Transition Metal

Top Venues

Environmental science & technology

Journal of chemical theory and computation

The journal of physical chemistry letters

Analytical chemistry

This page only lists publications with an associated author ORCID identifier.

Publications

Kirby P Hobbs, Amanda D French, Kali M Melby, Eric J Bylaska, Khadouja Harouaka, Richard M Cox, Isaac J Arnquist, Chelsie L Beck
Assessing Gas-Phase Ion Reactivity of 50 Elements with NO and the Direct Application for 239 Pu in Complex Matrices Using ICP-MS/MS. Analytical chemistry 96 (15) (2024)
Nourin I Seenthia, Eric J Bylaska, Joseph J Pignatello, Paul G Tratnyek, Samuel A Beal, Wenqing Xu
Experimental and Computational Study of Pyrogenic Carbonaceous Matter Facilitated Hydrolysis of 2,4-Dinitroanisole (DNAN). Environmental science & technology 58 (21) (2024)
Nourin I Seenthia, Eric J Bylaska, Joseph J Pignatello, Paul G Tratnyek, Samuel A Beal, Wenqing Xu
Experimental and Computational Study of Pyrogenic Carbonaceous Matter Facilitated Hydrolysis of 2,4-Dinitroanisole (DNAN). Environmental science & technology 58 (21) (2024)
Kirby P Hobbs, Amanda D French, Kali M Melby, Eric J Bylaska, Khadouja Harouaka, Richard M Cox, Isaac J Arnquist, Chelsie L Beck
Assessing Gas-Phase Ion Reactivity of 50 Elements with NO and the Direct Application for 239 Pu in Complex Matrices Using ICP-MS/MS. Analytical chemistry (2024)
Nourin I Seenthia, Eric J Bylaska, Joseph J Pignatello, Paul G Tratnyek, Samuel A Beal, Wenqing Xu
Experimental and Computational Study of Pyrogenic Carbonaceous Matter Facilitated Hydrolysis of 2,4-Dinitroanisole (DNAN). Environmental science & technology (2024)
Nourin I Seenthia, Eric J Bylaska, Joseph J Pignatello, Paul G Tratnyek, Samuel A Beal, Wenqing Xu
Experimental and Computational Study of Pyrogenic Carbonaceous Matter Facilitated Hydrolysis of 2,4-Dinitroanisole (DNAN). Environmental science & technology 58 (21) (2024)
Li Gong, Jingting Chen, Yao Hu, Kai He, Eric J Bylaska, Paul G Tratnyek, Feng He
Degradation of Chloroform by Zerovalent Iron: Effects of Mechanochemical Sulfidation and Nitridation on the Kinetics and Mechanism. Environmental science & technology (2023)
Daniel Mejía-Rodríguez, Edoardo Apra, Jochen Autschbach, Nicholas P Bauman, Eric J Bylaska, Niranjan Govind, Jeff R Hammond, Karol Kowalski, Alexander Kunitsa, Ajay Panyala, Bo Peng, John J Rehr, Huajing Song, Sergei Tretiak, Marat Valiev, Fernando D Vila
NWChem: Recent and Ongoing Developments. Journal of chemical theory and computation (2023)
Eric J Bylaska, Paul G Tratnyek, Tifany L Torralba-Sanchez, Kyle C Edwards, David A Dixon, Joseph J Pignatello, Wenqing Xu
Computational Predictions of the Hydrolysis of 2,4,6-Trinitrotoluene (TNT) and 2,4-Dinitroanisole (DNAN). The journal of physical chemistry. A 126 (48) (2022)
Eugene S Ilton, Richard N Collins, Cristiana L Ciobanu, Nigel J Cook, Max Verdugo-Ihl, Ashley D Slattery, David J Paterson, Sebastian T Mergelsberg, Eric J Bylaska, Kathy Ehrig
Pentavalent Uranium Incorporated in the Structure of Proterozoic Hematite. Environmental science & technology 56 (16) (2022)
Sebastian T Mergelsberg, Micah P Prange, Duo Song, Eric J Bylaska, Sarah A Saslow, Jeffrey G Catalano, Eugene S Ilton
Resolving Configurational Disorder for Impurities in a Low-Entropy Phase. The journal of physical chemistry letters 12 (24) (2021)
Karol Kowalski, Raymond Bair, Nicholas P Bauman, Jeffery S Boschen, Eric J Bylaska, Jeff Daily, Wibe A de Jong, Thom H Dunning, Niranjan Govind, Robert J Harrison, Murat Keçeli, Kristopher Keipert, Sriram Krishnamoorthy, Suraj Kumar, Erdal Mutlu, Bruce Palmer, Ajay Panyala, Bo Peng, Ryan M Richard, T P Straatsma, Peter V Sushko, Edward F Valeev, Marat Valiev, Hubertus J J van Dam, Jonathan M Waldrop, David B Williams-Young, Chao Yang, Marcin Zalewski, Theresa L Windus
From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape. Chemical reviews 121 (8) (2021)
Eugene S Ilton, Libor Kovarik, Elias Nakouzi, Sebastian T Mergelsberg, Martin E McBriarty, Eric J Bylaska
Using Atom Dynamics to Map the Defect Structure Around an Impurity in Nano-Hematite. The journal of physical chemistry letters 11 (24) (2020)
Edoardo Apra, Eric J Bylaska, Wibe A de Jong, Niranjan Govind, Karol Kowalski, T P Straatsma, Marat Valiev, H J J van Dam, Yuri Alexeev, J Anchell, V Anisimov, F W Aquino, R Atta-Fynn, Jochen Autschbach, Nicholas P Bauman, J C Becca, D E Bernholdt, K Bhaskaran-Nair, S Bogatko, P Borowski, J Boschen, J Brabec, A Bruner, E Cauët, Y Chen, Gennady N Chuev, Christopher J Cramer, J Daily, M J O Deegan, Thom H Dunning, Michel Dupuis, K G Dyall, G I Fann, S A Fischer, A Fonari, H Früchtl, Soumen Ghosh, J Garza, N Gawande, Soumen Ghosh, K Glaesemann, Andreas W Götz, Jeff R Hammond, Volkhard Helms, E D Hermes, K Hirao, So Hirata, M Jacquelin, Lasse Jensen, B G Johnson, Hannes Jónsson, R A Kendall, M Klemm, Rika Kobayashi, V Konkov, S Krishnamoorthy, M Krishnan, Z Lin, R D Lins, R J Littlefield, Andrew James Logsdail, Kenneth Lopata, W Ma, A V Marenich, Jorge M Del Campo, Daniel Mejía-Rodríguez, J E Moore, J M Mullin, Takahito Nakajima, D R Nascimento, J A Nichols, P J Nichols, J Nieplocha, A Otero-de-la-Roza, B Palmer, Ajay Panyala, Teerapong Pirojsirikul, Bo Peng, Roberto Peverati, J Pittner, L Pollack, Ryan M Richard, P Sadayappan, George C Schatz, W A Shelton, D W Silverstein, D M A Smith, Thereza A Soares, Duo Song, Marcel Swart, H L Taylor, G S Thomas, V Tipparaju, Donald G Truhlar, K Tsemekhman, T Van Voorhis, Á Vázquez-Mayagoitia, Prakash Verma, O Villa, A Vishnu, K D Vogiatzis, Dunyou Wang, J H Weare, Mark J Williamson, T L Windus, K Woliński, A T Wong, Qin Wu, C Yang, Q Yu, M Zacharias, Zhiyong Zhang, Yan Zhao, R J Harrison
NWChem: Past, present, and future. The Journal of chemical physics 152 (18) (2020)
Nicholas P Bauman, Hongbin Liu, Eric J Bylaska, Sriram Krishnamoorthy, Guang Hao Low, Christopher E Granade, Nathan Wiebe, Nathan A Baker, Bo Peng, Martin Roetteler, Matthias Troyer, Karol Kowalski
Toward Quantum Computing for High-Energy Excited States in Molecular Systems: Quantum Phase Estimations of Core-Level States. Journal of chemical theory and computation 17 (1) (2020)
Eric J Bylaska, Jeffrey G Catalano, Sebastian T Mergelsberg, Sarah A Saslow, Odeta Qafoku, Micah P Prange, Eugene S Ilton
Association of Defects and Zinc in Hematite. Environmental science & technology 53 (23) (2019)
Edoardo Apra, Ashish Bhattarai, Kevin T Crampton, Eric J Bylaska, Niranjan Govind, Wayne P Hess, Patrick Z El-Khoury
Time Domain Simulations of Single Molecule Raman Scattering. The journal of physical chemistry. A 122 (37) (2018)
Eric J Bylaska, Kevin M Rosso
Corresponding Orbitals Derived from Periodic Bloch States for Electron Transfer Calculations of Transition Metal Oxides. Journal of chemical theory and computation 14 (8) (2018)
Martin E McBriarty, Sebastien N Kerisit, Eric J Bylaska, Samuel Shaw, Katherine Morris, Eugene S Ilton
Iron Vacancies Accommodate Uranyl Incorporation into Hematite. Environmental science & technology 52 (11) (2018)
Ying Chen, Eric J Bylaska, John H Weare
Weakly bound water structure, bond valence saturation and water dynamics at the goethite (100) surface/aqueous interface: ab initio dynamical simulations. Geochemical transactions 18 (1) (2017)