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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SDG 2 Zero Hunger -
SDG 3 Good Health and Well-being -
SDG 7 Affordable and Clean Energy -
SDG 9 Industry, Innovation, and Infrastructure -
SDG 13 Climate Action
Fingerprint
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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Multiconfiguration Nonclassical-Energy Functional Theory for Structure and Dynamics.
Truhlar, D. G. (PI)
UNIVERSITY OF CHICAGO, THE NATIONAL SCIENCE FOUNDATION
8/1/25 → 7/31/28
Project: Research project
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Spectroscopic Measurements for Recombination Modeling in High-Enthalpy Expanding Flows
Schwartzentruber, T. E. (PI), Candler, G. V. (CoI) & Truhlar, D. G. (CoI)
CALIFORNIA INSTITUTE OF TECHNOLOGY, USDOD AIR FORCE
9/1/23 → 2/28/27
Project: Research project
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Home for Unattached Projects (aka Orphanage 2)
Davenport, M. A. (PI), LaLiberte, T. L. (PI), Lund, T. C. (PI), Maclehose, R. F. (PI), Maher, I. (PI), Mc Koskey, K. (PI), McKenna, D. H. (PI), Miller, S. L. (PI), Shippee, N. D. (PI), Simon, J. A. (PI), Stammler, J. M. (PI), Truhlar, D. G. (PI) & Gagliardi, L. (CoI)
VARIOUS SPONSORS - NON-FEDERAL
8/1/14 → 12/31/39
Project: Research project
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Catalyst Design for Decarbonization Center (CD4DC)
Neurock, M. (PI) & Truhlar, D. G. (PI)
UNIVERSITY OF CHICAGO, U.S. DEPARTMENT OF ENERGY (USDOE)
8/1/22 → 7/31/26
Project: Research project
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Multiconfiguration Pair-Density Functional Theory for Spectroscopy and Photochemistry
Truhlar, D. G. (PI)
UNIVERSITY OF CHICAGO, THE NATIONAL SCIENCE FOUNDATION
8/1/21 → 7/31/24
Project: Research project
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Aldehyde cool-flame chemistry explains a missing source of organic acids
Liu, B., Dong, B., Wang, H., Ruan, S., Zhu, Q., Chen, W., Wang, L., Zhu, L., Xing, L., Truhlar, D. G. & Wang, Z., Dec 2026, In: Nature communications. 17, 1, 1232.Research output: Contribution to journal › Article › peer-review
Open Access2 Link opens in a new tab Scopus citations -
Atmospheric Oxidation Kinetics of Monochloramine by Hydroxyl Radical, Carbonyl Oxide, and Sulfur Trioxide Catalyzed by Water
Xie, C., Long, B. & Truhlar, D. G., Jul 16 2026, In: Journal of Physical Chemistry A. 130, 28, p. 5435-5444 10 p.Research output: Contribution to journal › Article › peer-review
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Automated Learning of a Dense Manifold of Electronic States and Electronic Energy Transfer and Reactions in Singlet O Collisions with N2
Meng, Q., Shu, Y., Varga, Z., Zhang, D. & Truhlar, D. G., Jan 2026, In: Research. 9, 0992.Research output: Contribution to journal › Article › peer-review
Open Access4 Link opens in a new tab Scopus citations -
Automerization of Cyclobutadiene: Multiconfiguration Pair-Density Functional Theory Gives High Accuracy Where Unrestricted Kohn–Sham Density Functional Theory Does Not
Parameswaran, A. M. & Truhlar, D. G., Mar 4 2026, In: Journal of the American Chemical Society. 148, 8, p. 8664-8676 13 p.Research output: Contribution to journal › Article › peer-review
1 Link opens in a new tab Scopus citations -
Dynamics of Electronically Inelastic and Reactive Collisions of O(1D) with N2 Based on Machine-Learned Coupled Potential Energy Surfaces
Meng, Q., Shu, Y., Varga, Z., Zhang, D. & Truhlar, D. G., May 26 2026, In: Journal of Chemical Theory and Computation. 22, 10, p. 4908-4921 14 p.Research output: Contribution to journal › Article › peer-review
Datasets
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Electronic structure data for ³A' and A" N₂O
Truhlar, D. G., Lin, W., Varga, Z., Song, G. & Paukku, Y., Data Repository for the University of Minnesota, 2020
DOI: 10.13020/c66z-2z26, http://hdl.handle.net/11299/216938
Dataset
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PIPFit 2022
Yang, K. R., Varga, Z., Parker, K., Shu, Y. & Truhlar, D. G., Data Repository for the University of Minnesota, Feb 14 2022
https://hdl.handle.net/11299/226289
Dataset
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Adiabatic and Diabatic Energy Dataset for the Ground and First Excited Singlet States of CH3NH2
Parker, K. & Truhlar, D. G., Data Repository for the University of Minnesota, 2020
DOI: 10.13020/4f95-ex37, http://hdl.handle.net/11299/213731
Dataset
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Minnesota Solvation Database (MNSOL) version 2012
Venkatesan, G. A., Marenich, A. V., Kelly, C. P., Thompson, J. D., Hawkins, G. D., Chambers, C. C., Giesen, D. J., Winget, P., Cramer, C. & Truhlar, D. G., Data Repository for the University of Minnesota, 2020
DOI: 10.13020/3eks-j059, http://hdl.handle.net/11299/213300
Dataset
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Pilgrim 2020.1
Ramos, A., Ferro-Costas, D. & Truhlar, D. G., Data Repository for the University of Minnesota, 2020
DOI: 10.13020/hhzs-3z47, http://hdl.handle.net/11299/212115
Dataset