Projects per year
Personal profile
Expertise related to UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):
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The Fingerprint is created by mining the titles and abstracts of the person's research outputs and projects/funding awards to create an index of weighted terms from discipline-specific thesauri.
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Collaborations and top research areas from the last five years
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
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Machine Learning Potentials for Chemical Reactions
Goodpaster, J. D. (PI)
THE CAMILLE & HENRY DREYFUS FDN., Inc.
9/1/20 → 8/31/25
Project: Research project
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Discovery of New Antibacterial Targets: Probes and Inhibitors of Histidine Kinase Proteins
Carlson, E. E. (PI), Goodpaster, J. D. (CoI) & Hunter, R. C. (CoI)
NIH NIGMS NATL INST OF GENERAL
4/1/20 → 1/31/25
Project: Research project
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Machine Learning how Electrons Correlate
Goodpaster, J. D. (PI)
THE NATIONAL SCIENCE FOUNDATION
3/1/20 → 2/28/25
Project: Research project
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NMGC: Nanoporous Materials Genome: Methods and Software to Optimize Gas Storage, Separations, and Catalysis (Phase 2)
Siepmann, I. (PI), Cramer, C. (CoI), Gagliardi, L. (CoI), Truhlar, D. G. (CoI), Tsapatsis, M. (CoI) & Goodpaster, J. D. (CoI)
U.S. DEPARTMENT OF ENERGY (USDOE)
9/1/17 → 8/31/21
Project: Research project
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NMGC: Nanoporous Materials Genome: Methods and Software to Optimize Gas Storage, Separations, and Catalysis (Phase 1)
Siepmann, I. (PI), Cramer, C. (CoI), Gagliardi, L. (CoI), Truhlar, D. G. (CoI), Tsapatsis, M. (CoI) & Goodpaster, J. D. (CoI)
9/1/12 → 8/31/17
Project: Research project
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Unraveling Surface Chemistry of SnO2 Through Formation of Charged Oxygen Species and Oxygen Vacancies
Shaban Tameh, M., Gladfelter, W. L. & Goodpaster, J. D., Feb 15 2025, In: International Journal of Quantum Chemistry. 125, 4, e70017.Research output: Contribution to journal › Article › peer-review
Open Access -
CatEmbed: A Machine-Learned Representation Obtained via Categorical Entity Embedding for Predicting Adsorption and Reaction Energies on Bimetallic Alloy Surfaces
Kirkvold, C., Collins, B. A. & Goodpaster, J. D., Jul 4 2024, In: Journal of Physical Chemistry Letters. 15, 26, p. 6791-6797 7 p.Research output: Contribution to journal › Article › peer-review
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Efficient method for twist-averaged coupled cluster calculation of gap energy: Bulk study of stannic oxide
Shaban Tameh, M., Gladfelter, W. L. & Goodpaster, J. D., Sep 1 2024, In: AIP Advances. 14, 9, 095106.Research output: Contribution to journal › Article › peer-review
Open Access1 Scopus citations -
Contrasting Mechanisms of Aromatic and Aryl-Methyl Substituent Hydroxylation by the Rieske Monooxygenase Salicylate 5-Hydroxylase
Rogers, M. S., Gordon, A. M., Rappe, T. M., Goodpaster, J. D. & Lipscomb, J. D., Jan 17 2023, In: Biochemistry. 62, 2, p. 507-523 17 p.Research output: Contribution to journal › Article › peer-review
Open Access7 Scopus citations -
Neural network potentials for reactive chemistry: CASPT2 quality potential energy surfaces for bond breaking
Hu, Q. H., Johannesen, A. M., Graham, D. S. & Goodpaster, J. D., Aug 1 2023, In: Digital Discovery. 2, 4, p. 1058-1069 12 p.Research output: Contribution to journal › Article › peer-review
Open Access7 Scopus citations
Datasets
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Huzinaga Projection Embedding for Efficient and Accurate Energies of Systems with Localized Spin-densities
Graham, D. S., Wen, X., Chulhai, D. & Goodpaster, J. D., Data Repository for the University of Minnesota, May 7 2021
https://hdl.handle.net/11299/219605
Dataset
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Data for "Ground State Absolutely Localized WF-in-DFT Embedding Energies"
Graham, D. S., Wen, X., Chulhai, D. & Goodpaster, J. D., Data Repository for the University of Minnesota, 2019
DOI: 10.13020/r7c0-2x97, http://hdl.handle.net/11299/208808
Dataset
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Geometries for Improving and Understanding the Hydrogen Evolving Activity of a Cobalt Dithiolene Metal-Organic Framework
Goodpaster, J. D., Chen, K., Downes, C. A., Schneider, E. & Marinescu, S. C., Data Repository for the University of Minnesota, 2020
http://hdl.handle.net/11299/211666
Dataset
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Alkane dataset for reactive chemistry neural network potentials at DFT and CASPT2 level
Hu, Q. & Goodpaster, J., ZENODO, May 29 2023
DOI: 10.5281/zenodo.7983019, https://zenodo.org/record/7983019
Dataset