All papers authored by Eduard Valeyev
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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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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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2017
Fabijan Pavošević,
Chong Peng,
J. V. Ortiz ,
Edward F. Valeev
,
Edward F. Valeev
Communication: Explicitly correlated formalism for second-order single-particle Green’s function
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Yang Guo,
Kantharuban Sivalingam ,
Edward F. Valeev ,
Frank Neese
,
Edward F. Valeev ,
Frank Neese
Explicitly correlated N-electron valence state perturbation theory (NEVPT2-F12)
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Robert M. Parrish,
Lori A. Burns ,
Daniel Ga A. Smith,
Andrew C. Simmonett ,
A. Eugene DePrince,
Edward G. Hohenstein ,
Xiao Wang,
Uğur Bozkaya,
Prakash Verma,
Jérôme F. Gonthier,
Andrew M. James,
Alexander Yu-U. Sokolov ,
Edward F. Valeev ,
Roberto Di Remigio ,
Harley R. McAlexander
and 11 other authors
Download from authors.library.caltech.edu
,
Daniel Ga A. Smith,
Andrew C. Simmonett ,
A. Eugene DePrince,
Edward G. Hohenstein ,
Xiao Wang,
Uğur Bozkaya,
Prakash Verma,
Jérôme F. Gonthier,
Andrew M. James,
Alexander Yu-U. Sokolov ,
Edward F. Valeev ,
Roberto Di Remigio ,
Harley R. McAlexander
and 11 other authors
Download from authors.library.caltech.edu
Fabijan Pavošević,
Chong Peng,
Peter Pinski ,
Christoph Riplinger,
Frank Neese ,
Edward F. Valeev
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,
Christoph Riplinger,
Frank Neese ,
Edward F. Valeev
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Yang Min Wang ,
Christof Hättig ,
Simen Reine,
Edward Valeev ,
Thomas Kjærgaard ,
Kasper Kristensen
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,
Christof Hättig ,
Simen Reine,
Edward Valeev ,
Thomas Kjærgaard ,
Kasper Kristensen
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