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
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Projects
- 15 Finished
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Multi-configuration pair-density functional theory for c
Gagliardi, L. (PI) & Truhlar, D. G. (CoI)
THE NATIONAL SCIENCE FOUNDATION
8/1/18 → 7/31/21
Project: Research project
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NIST SURF Application University of Minnesota - Michlell
Gagliardi, L. (PI)
USDOC NATL INST OF STANDARDS AND TECH (N
5/1/18 → 9/30/18
Project: Research project
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Actinide Center of Excellence (ACE)
Gagliardi, L. (PI)
UNIVERSITY OF NOTRE DAME, U.S. DEPARTMENT OF ENERGY (USDOE)
10/1/17 → 9/30/20
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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Multiconfigurational Pair-Density Functional Theory for
Gagliardi, L. (PI)
7/15/16 → 1/14/20
Project: Research project
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A hybrid meta on-top functional for multiconfiguration pair-density functional theory
Bao, J. J., Zhang, D., Zhang, S., Gagliardi, L. & Truhlar, D. G., Jan 7 2025, In: Proceedings of the National Academy of Sciences of the United States of America. 122, 1, e2419413121.Research output: Contribution to journal › Article › peer-review
Open Access7 Scopus citations -
Cross-aldol condensation on missing linker sites of metal–organic framework UiO-66
Zhao, R., Scott, T. R., Schmid, J., Löbbert, L., Bermejo-Deval, R., Liu, Y., Gagliardi, L., Neurock, M. & Lercher, J. A., Aug 2025, In: Journal of Catalysis. 448, 116204.Research output: Contribution to journal › Article › peer-review
Open Access2 Scopus citations -
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
Open Access5 Scopus citations -
High-Temperature Water Adsorption Isotherms and Ambient Temperature Water Diffusion Rates on Water Harvesting Metal-Organic Frameworks
Hastings, J., Lassitter, T., Zheng, Z., Chheda, S., Siepmann, J. I., Gagliardi, L., Yaghi, O. M. & Glover, T. G., Jul 11 2024, In: Journal of Physical Chemistry C. 128, 27, p. 11328-11339 12 p.Research output: Contribution to journal › Article › peer-review
13 Scopus citations -
Minimum-Energy Conical Intersections by Compressed Multistate Pair-Density Functional Theory
Calio, P. B., Hermes, M. R., Bao, J. J., Galván, I. F., Lindh, R., Truhlar, D. G. & Gagliardi, L., Mar 7 2024, In: Journal of Physical Chemistry A. 128, 9, p. 1698-1706 9 p.Research output: Contribution to journal › Article › peer-review
Open Access4 Scopus citations
Datasets
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Supplementary Data for "Influence of First And Second Coordination Environment on Structural Fe(II) Sites in MIL-101 for C-H Bond Activation in Methane"
Vitillo, J. G., Lu, C. C., Cramer, C. J., Bhan, A. & Gagliardi, L., ZENODO, 2020
DOI: 10.5281/zenodo.4256607, https://zenodo.org/record/4256607
Dataset