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Jonathan M. Waldrop

Iowa State University

10H-index
22Paper Count
1.4KCitation Count
Published Papers 12
Publication Date
VENUSpy: A Chemical Dynamics Simulation Program in the Era of Machine Learning and Exascale Computing
err2025-10-01
err0
PREAI
errFujioka, Kazuumi; Richard, Ryan; Waldrop, Jonathan; Luo, Yuheng; Windus, Theresa L.; Sun, Rui
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Projector-Based Quantum Embedding Study of Iron Complexes
err2025-01-29
err0
PREAI
errWaldrop, Jonathan M.; Panyala, Ajay; Mejia-Rodriguez, Daniel; Windus, Theresa L.; Govind, Niranjan
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Distributed memory, GPU accelerated Fock construction for hybrid, Gaussian basis density functional theory
err2023-06-16
err13
errOAAI
errWilliams-Young, David B.; Asadchev, Andrey; Popovici, Doru Thom; Clark, David; Waldrop, Jonathan; Windus, Theresa L.; Valeev, Edward F.; de Jong, Wibe A.
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PluginPlay: Enabling exascale scientific software one module at a time
err2023-05-12
err5
errOAAI
errRichard, Ryan M. M.; Keipert, Kristopher; Waldrop, Jonathan; Keceli, Murat; Williams-Young, David; Bair, Raymond; Boschen, Jeffery; Crandall, Zachery; Gasperich, Kevin; Mahmud, Quazi Ishtiaque; Panyala, Ajay; Valeev, Edward; van Dam, Hubertus; de Jong, Wibe A. A.; Windus, Theresa L. L.
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PSI4 1.4: Open-source software for high-throughput quantum chemistry
err2020-05-13
err684
errOAAI
errSmith, Daniel G. A.; Burns, Lori A.; Simmonett, Andrew C.; Parrish, Robert M.; Schieber, Matthew C.; Galvelis, Raimondas; Kraus, Peter; Kruse, Holger; Di Remigio, Roberto; Alenaizan, Asem; James, Andrew M.; Lehtola, Susi; Misiewicz, Jonathon P.; Scheurer, Maximilian; Shaw, Robert A.; Schriber, Jeffrey B.; Xie, Yi; Glick, Zachary L.; Sirianni, Dominic A.; O'Brien, Joseph Senan; Waldrop, Jonathan M.; Kumar, Ashutosh; Hohenstein, Edward G.; Pritchard, Benjamin P.; Brooks, Bernard R.; Schaefer, Henry F., III; Sokolov, Alexander Yu.; Patkowski, Konrad; DePrince, A. Eugene, III; Bozkaya, Ugur; King, Rollin A.; Evangelista, Francesco A.; Turney, Justin M.; Crawford, T. Daniel; Sherrill, C. David
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PSI4NUMPY: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development
err2018-05-17
err129
PREAI
errSmith, Daniel G. A.; Burns, Lori A.; Sirianni, Dominic A.; Nascimento, Daniel R.; Kumar, Ashutosh; James, Andrew M.; Schriber, Jeffrey B.; Zhang, Tianyuan; Zhang, Boyi; Abbott, Adam S.; Berquist, Ericv J.; Lechner, Marvin H.; Cunha, Leonardo A.; Heide, Alexander G.; Waldrop, Jonathan M.; Takeshita, Tyler Y.; Alenaizan, Asem; Neuhauser, Daniel; King, Rollin A.; Simmonett, Andrew C.; Turney, Justin M.; Schaefer, Henry F.; Evangelista, Francesco A.; DePrince, A. Eugene, III; Crawford, T. Daniel; Patkowski, Konrad; Sherrill, C. David
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Chemist: A Domain-Specific Language by Chemists for Chemists
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err0
errOAAI
errJonathan M. Waldrop; Wibe de Jong; Edward F. Valeev; Theresa L. Windus; Ryan M. Richard
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