All papers authored by Jonathan Waldrop
Refreshing results…
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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2020
Jonathan M. Waldrop ,
Konrad Patkowski
,
Konrad Patkowski
Interactions of CO2 with cluster models of metal–organic frameworks
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Daniel G. A. Smith ,
Lori A. Burns ,
Andrew C. Simmonett ,
Robert M. Parrish ,
Matthew C. Schieber,
Raimondas Galvelis ,
Peter Kraus ,
Holger Kruse ,
Roberto Di Remigio ,
R. D. Remigio,
Asem Alenaizan ,
Andrew M. James ,
Susi Lehtola ,
Jonathon P. Misiewicz,
Maximilian Scheurer
and 22 other authors
,
Lori A. Burns ,
Andrew C. Simmonett ,
Robert M. Parrish ,
Matthew C. Schieber,
Raimondas Galvelis ,
Peter Kraus ,
Holger Kruse ,
Roberto Di Remigio ,
R. D. Remigio,
Asem Alenaizan ,
Andrew M. James ,
Susi Lehtola ,
Jonathon P. Misiewicz,
Maximilian Scheurer
and 22 other authors
Psi4 1.4: Open-source software for high-throughput quantum chemistry
Download from aip.scitation.org
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