All papers authored by Wibe de Jong
Refreshing results…
2023
Rosa Di Felice 
,
Maricris L. Mayes,
Ryan M. Richard,
David B. Williams-Young ,
Garnet Kin-Lic Chan,
Wibe A. de Jong ,
Niranjan Govind ,
Martin Head-Gordon ,
Matthew R. Hermes ,
Karol Kowalski ,
Xiaosong Li ,
Hans Lischka ,
Karl T. Mueller ,
Erdal Mutlu,
Anders M. N. Niklasson
and 10 other authors
,
Maricris L. Mayes,
Ryan M. Richard,
David B. Williams-Young ,
Garnet Kin-Lic Chan,
Wibe A. de Jong ,
Niranjan Govind ,
Martin Head-Gordon ,
Matthew R. Hermes ,
Karol Kowalski ,
Xiaosong Li ,
Hans Lischka ,
Karl T. Mueller ,
Erdal Mutlu,
Anders M. N. Niklasson
and 10 other authors
A Perspective on Sustainable Computational Chemistry Software Development and Integration
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Ryan M. Richard ,
Kristopher Keipert ,
Jonathan Waldrop ,
Murat Keçeli ,
David Williams-Young ,
Raymond Bair ,
Jeffery Boschen,
Zachery Crandall ,
Kevin Gasperich ,
Quazi Ishtiaque Mahmud ,
Ajay Panyala ,
Edward Valeev ,
Hubertus van Dam ,
Wibe A. de Jong ,
Theresa L. Windus
,
Kristopher Keipert ,
Jonathan Waldrop ,
Murat Keçeli ,
David Williams-Young ,
Raymond Bair ,
Jeffery Boschen,
Zachery Crandall ,
Kevin Gasperich ,
Quazi Ishtiaque Mahmud ,
Ajay Panyala ,
Edward Valeev ,
Hubertus van Dam ,
Wibe A. de Jong ,
Theresa L. Windus
PluginPlay: Enabling exascale scientific software one module at a time
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Kevin Maik Jablonka ,
Qianxiang Ai ,
Alexander Al-Feghali ,
Shruti Badhwar ,
Joshua D. Bocarsly ,
Joshua D. Bocarsly Andres M. Bran ,
Stefan Bringuier ,
L. Catherine Brinson ,
Kamal Choudhary ,
Defne Circi ,
Sam Cox ,
Wibe A. de Jong ,
Matthew L. Evans ,
Nicolas Gastellu ,
Jérôme Genzling
and 40 other authors
Download from doi.org
,
Qianxiang Ai ,
Alexander Al-Feghali ,
Shruti Badhwar ,
Joshua D. Bocarsly ,
Joshua D. Bocarsly Andres M. Bran ,
Stefan Bringuier ,
L. Catherine Brinson ,
Kamal Choudhary ,
Defne Circi ,
Sam Cox ,
Wibe A. de Jong ,
Matthew L. Evans ,
Nicolas Gastellu ,
Jérôme Genzling
and 40 other authors
Download from doi.org
2022
Mekena Metcalf ,
Emma Stone,
Katherine Klymko,
Alexander F. Kemper ,
Mohan Sarovar ,
Wibe A. de Jong
,
Emma Stone,
Katherine Klymko,
Alexander F. Kemper ,
Mohan Sarovar ,
Wibe A. de Jong
Quantum Markov chain Monte Carlo with digital dissipative dynamics on quantum computers
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2021
Lindsay Bassman ,
Miroslav Urbanek ,
Mekena Metcalf ,
Jonathan Carter ,
Alexander F. Kemper ,
Wibe A. de Jong
,
Miroslav Urbanek ,
Mekena Metcalf ,
Jonathan Carter ,
Alexander F. Kemper ,
Wibe A. de Jong
Simulating quantum materials with digital quantum computers
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David B. Williams-Young ,
Abhishek Bagusetty ,
Wibe A. de Jong ,
Douglas Doerfler,
Hubertus J. J. van Dam ,
Alvaro Vazquez-Mayagoitia ,
Theresa L. Windus,
Chao Yang
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,
Abhishek Bagusetty ,
Wibe A. de Jong ,
Douglas Doerfler,
Hubertus J. J. van Dam ,
Alvaro Vazquez-Mayagoitia ,
Theresa L. Windus,
Chao Yang
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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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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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2017
Konstantinos D. Vogiatzis ,
Dongxia Ma,
Jeppe Olsen ,
Laura Gagliardi ,
Wibe A. de Jong
,
Dongxia Ma,
Jeppe Olsen ,
Laura Gagliardi ,
Wibe A. de Jong
Pushing configuration-interaction to the limit: Towards massively parallel MCSCF calculations
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