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 6 Clean Water and Sanitation -
SDG 7 Affordable and Clean Energy -
SDG 9 Industry, Innovation, and Infrastructure -
SDG 12 Responsible Consumption and Production -
SDG 13 Climate Action
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Collaborations and top research areas from the last five years
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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), Simon, J. A. (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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Multi-configuration pair-density functional theory for c
Gagliardi, L. (PI) & Truhlar, D. G. (PI)
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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Discovery of Stacking Heterogeneity, Layer Buckling, and Residual Water in COF-999-NH2 and Implications on CO2Capture
Daglar, H., Zhou, Z., Zhu, R., Parihar, P., Siepmann, J. I., Yaghi, O. M. & Gagliardi, L., Jan 14 2026, In: Journal of the American Chemical Society. 148, 1, p. 1614-1622 9 p.Research output: Contribution to journal › Article › peer-review
4 Link opens in a new tab Scopus citations -
Linearized Pair-Density Functional Theory with Spin-Orbit Coupling
Jangid, B., Hennefarth, M. R., Hermes, M. R., Truhlar, D. G. & Gagliardi, L., Jan 13 2026, In: Journal of Chemical Theory and Computation. 22, 1, p. 318-333 16 p.Research output: Contribution to journal › Article › peer-review
1 Link opens in a new tab Scopus citations -
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 Access10 Link opens in a new tab Scopus citations -
Analytic Dipole Moments For Complete Active Space Linearized Pair-Density Functional Theory
Clifford, H. S., Hennefarth, M. R., Truhlar, D. G. & Gagliardi, L., 2025, In: Journal of Physical Chemistry Letters. 16, p. 10400-10409 10 p.Research output: Contribution to journal › Article › peer-review
2 Link opens in a new tab 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 Access5 Link opens in a new tab 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