All papers authored by Eric Bylaska
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2023
Daniel Mejia-Rodriguez 
,
Edoardo Aprà ,
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
and 1 other authors
,
Edoardo Aprà ,
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
and 1 other authors
NWChem: Recent and Ongoing Developments
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Karol Kowalski ,
Raymond Bair ,
Nicholas P. Bauman,
Jeffery S. Boschen,
Eric J. Bylaska ,
Jeff Daily,
Wibe A. de Jong ,
Thom Dunning ,
Niranjan Govind ,
Robert J. Harrison,
Murat Keçeli,
Kristopher Keipert,
Sriram Krishnamoorthy,
Suraj Kumar,
Erdal Mutlu
and 14 other authors
,
Raymond Bair ,
Nicholas P. Bauman,
Jeffery S. Boschen,
Eric J. Bylaska ,
Jeff Daily,
Wibe A. de Jong ,
Thom Dunning ,
Niranjan Govind ,
Robert J. Harrison,
Murat Keçeli,
Kristopher Keipert,
Sriram Krishnamoorthy,
Suraj Kumar,
Erdal Mutlu
and 14 other authors
From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape
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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
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,
Eric J. Bylaska ,
Sriram Krishnamoorthy,
Guang Hao Low,
Christopher E. Granade,
Nathan Wiebe,
Nathan A. Baker ,
Bo Peng ,
Martin Roetteler,
Matthias Troyer,
Karol Kowalski
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E. Aprà ,
E. J. Bylaska ,
W. A. de Jong ,
N. Govind ,
K. Kowalski ,
T. P. Straatsma ,
M. Valiev ,
H. J. J. van Dam,
Y. Alexeev ,
J. Anchell,
V. Anisimov,
F. W. Aquino,
R. Atta-Fynn,
J. Autschbach ,
N. P. Bauman
and 99 other authors
,
E. J. Bylaska ,
W. A. de Jong ,
N. Govind ,
K. Kowalski ,
T. P. Straatsma ,
M. Valiev ,
H. J. J. van Dam,
Y. Alexeev ,
J. Anchell,
V. Anisimov,
F. W. Aquino,
R. Atta-Fynn,
J. Autschbach ,
N. P. Bauman
and 99 other authors
NWChem: Past, present, and future
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2019
Eric J. Bylaska ,
Jeffrey G. Catalano,
Sebastian T. Mergelsberg ,
Sarah A. Saslow ,
Odeta Qafoku ,
Micah P. Prange,
Eugene S. Ilton
,
Jeffrey G. Catalano,
Sebastian T. Mergelsberg ,
Sarah A. Saslow ,
Odeta Qafoku ,
Micah P. Prange,
Eugene S. Ilton
Association of Defects and Zinc in Hematite
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Nicholas P. Bauman ,
Eric J. Bylaska ,
Sriram Krishnamoorthy,
Guang Hao Low,
Nathan Wiebe,
Christopher E. Granade,
Martin Roetteler ,
Matthias Troyer ,
Karol Kowalski
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,
Eric J. Bylaska ,
Sriram Krishnamoorthy,
Guang Hao Low,
Nathan Wiebe,
Christopher E. Granade,
Martin Roetteler ,
Matthias Troyer ,
Karol Kowalski
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Martin E. McBriarty ,
Sebastien Kerisit ,
Eric J. Bylaska ,
Samuel Shaw ,
Katherine Morris ,
Eugene S. Ilton
,
Sebastien Kerisit ,
Eric J. Bylaska ,
Samuel Shaw ,
Katherine Morris ,
Eugene S. Ilton
Iron Vacancies Accommodate Uranyl Incorporation into Hematite
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