Jonathan M Waldrop (Jonathan Waldrop)

Publication Activity (10 Years)

Years Active: 2019-2023
Publications (10 Years): 7

Top Topics

Quality Improvement

Smoking Cessation

Molecular Dynamics Simulations

High Resolution

Top Venues

The Journal of chemical physics

Chemical reviews

Journal of computational chemistry

The journal of physical chemistry. A

This page only lists publications with an associated author ORCID identifier.

Publications

Ryan M Richard, Kristopher Keipert, Jonathan M Waldrop, Murat Keçeli, David B Williams-Young, Raymond Bair, Jeffery Boschen, Zachery Crandall, Kevin Gasperich, Quazi Ishtiaque Mahmud, Ajay Panyala, Edward F Valeev, Hubertus J J van Dam, Wibe A de Jong, Theresa L Windus
PluginPlay: Enabling exascale scientific software one module at a time. The Journal of chemical physics 158 (18) (2023)
David B Williams-Young, Andrey Asadchev, Doru Thom Popovici, David Clark, Jonathan M Waldrop, Theresa L Windus, Edward F Valeev, Wibe A de Jong
Distributed memory, GPU accelerated Fock construction for hybrid, Gaussian basis density functional theory. The Journal of chemical physics 158 (23) (2023)
Jonathan M Waldrop, Theresa L Windus, Niranjan Govind
Projector-Based Quantum Embedding for Molecular Systems: An Investigation of Three Partitioning Approaches. The journal of physical chemistry. A 125 (29) (2021)
Karol Kowalski, Raymond Bair, Nicholas P Bauman, Jeffery S Boschen, Eric J Bylaska, Jeff Daily, Wibe A de Jong, Thom H Dunning, Niranjan Govind, Robert J Harrison, Murat Keçeli, Kristopher Keipert, Sriram Krishnamoorthy, Suraj Kumar, Erdal Mutlu, Bruce Palmer, Ajay Panyala, Bo Peng, Ryan M Richard, T P Straatsma, Peter V Sushko, Edward F Valeev, Marat Valiev, Hubertus J J van Dam, Jonathan M Waldrop, David B Williams-Young, Chao Yang, Marcin Zalewski, Theresa L Windus
From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape. Chemical reviews 121 (8) (2021)
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, Asem Alenaizan, Andrew M James, Susi Lehtola, Jonathon P Misiewicz, Maximilian Scheurer, Robert A Shaw, Jeffrey B Schriber, Yi Xie, Zachary L Glick, Dominic A Sirianni, Joseph Senan O'Brien, Jonathan M Waldrop, Ashutosh Kumar, Edward G Hohenstein, Benjamin P Pritchard, Bernard R Brooks, Henry F Schaefer, Alexander Yu Sokolov, Konrad Patkowski, A Eugene DePrince Iii, Uğur Bozkaya, Rollin A King, Francesco A Evangelista, Justin M Turney, T Daniel Crawford, C David Sherrill
Psi4 1.4: Open-source software for high-throughput quantum chemistry. The Journal of chemical physics 152 (18) (2020)
Jonathan M Waldrop, Konrad Patkowski
Interactions of CO2 with cluster models of metal-organic frameworks. Journal of computational chemistry 41 (23) (2020)
Jonathan M Waldrop, Konrad Patkowski
Spin splittings from first-order symmetry-adapted perturbation theory without single-exchange approximation. The Journal of chemical physics 150 (7) (2019)