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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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 → 8/31/25
Project: Research project
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Catalyst Design for Decarbonization Center (CD4DC)
Truhlar, D. G. (PI) & Neurock, M. (CoI)
UNIVERSITY OF CHICAGO, U.S. DEPARTMENT OF ENERGY (USDOE)
8/1/22 → 7/31/25
Project: Research project
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Multiconfiguration Pair-Density Functional Theory for Magnetic Systems
Truhlar, D. G. (PI)
9/15/20 → 9/14/25
Project: Research project
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Nonadiabatic Photochemistry
Truhlar, D. G. (PI)
THE UNIVERSITY OF NEW MEXICO, U.S. DEPARTMENT OF ENERGY (USDOE)
4/15/16 → 4/14/25
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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DC24: A new density coherence functional for multiconfiguration density-coherence functional theory
Zhang, D., Shu, Y. & Truhlar, D. G., Jan 5 2025, In: Journal of Computational Chemistry. 46, 1, e27522.Research output: Contribution to journal › Article › peer-review
Open Access -
Analytic Nuclear Gradients for Complete Active Space Linearized Pair-Density Functional Theory
Hennefarth, M. R., Hermes, M. R., Truhlar, D. G. & Gagliardi, L., May 14 2024, In: Journal of Chemical Theory and Computation. 20, 9, p. 3637-3658 22 p.Research output: Contribution to journal › Article › peer-review
3 Scopus citations -
ANT 2023: A program for adiabatic and nonadiabatic trajectories
Shu, Y., Zhang, L. & Truhlar, D. G., Mar 2024, In: Computer Physics Communications. 296, 109021.Research output: Contribution to journal › Article › peer-review
Open Access3 Scopus citations -
Creating Benchmarks for Lithium Clusters and Using Them for Testing and Validation
Mansoori Kermani, M. & Truhlar, D. G., Dec 10 2024, In: Journal of Chemical Theory and Computation. 20, 23, p. 10491-10506 16 p.Research output: Contribution to journal › Article › peer-review
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Direct Observation of Covalently Bound Clusters in Resonantly Stabilized Radical Reactions and Implications for Carbonaceous Particle Growth
Wang, H., Guan, J., Gao, J., Zhang, J., Xu, Q., Xu, G., Jiang, L., Xing, L., Truhlar, D. G. & Wang, Z., May 15 2024, In: Journal of the American Chemical Society. 146, 19, p. 13571-13579 9 p.Research output: Contribution to journal › Article › peer-review
1 Scopus citations
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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Electronic structure data of singlet N4
Varga, Z., Paukku, Y. & Truhlar, D. G., Data Repository for the University of Minnesota, 2020
DOI: 10.13020/776n-tf21, http://hdl.handle.net/11299/212658
Dataset