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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Collaborations and top research areas from the last five years
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NSF-DFG Confine: Diffusion of Water Confined in Patterned Hydrophilic-Hydrophobic Nanopores
10/1/22 → 9/30/25
Project: Research project
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NSF-DFG Confine: Diffusion of Water Confined in Patterned Hydrophilic-Hydrophobic Nanopores
Sauer, J., Gagliardi, L. & Yaghi, O. M.
Deutsche Forschungsgemeinschaft
1/1/22 → …
Project: Research project
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Multiconfiguration Pair-Density Functional Theory for Spectroscopy and Photochemistry
Gagliardi, L. & Truhlar, D. G.
8/1/21 → 7/31/24
Project: Research project
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New perspectives on post-colonial theory: On History and Knowledge in Brazilian Literary Studies
Deutsche Forschungsgemeinschaft
1/1/21 → …
Project: Research project
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Multi-configuration pair-density functional theory for c
Gagliardi, L. & Truhlar, D. G.
THE NATIONAL SCIENCE FOUNDATION
8/1/18 → 7/31/21
Project: Research project
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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
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QMMM 2023: A program for combined quantum mechanical and molecular mechanical modeling and simulations
Lin, H., Zhang, Y., Pezeshki, S., Duster, A. W., Wang, B., Wu, X. P., Zheng, S. W., Gagliardi, L. & Truhlar, D. G., Feb 2024, In: Computer Physics Communications. 295, 108987.Research output: Contribution to journal › Article › peer-review
1 Scopus citations -
Comparing the reaction profiles of single iron catalytic sites in enzymes and in reticular frameworks for methane-to-methanol oxidation
Vitillo, J. G., Lu, C. C., Bhan, A. & Gagliardi, L., Jun 21 2023, In: Cell Reports Physical Science. 4, 6, 101422.Research output: Contribution to journal › Article › peer-review
Open Access4 Scopus citations -
Dipole Moments and Transition Dipole Moments Calculated by Pair-Density Functional Theory with State Interaction
Lykhin, A. O., Baumgarten, M. K. A., Truhlar, D. G. & Gagliardi, L., May 11 2023, In: Journal of Physical Chemistry A. 127, 18, p. 4194-4205 12 p.Research output: Contribution to journal › Article › peer-review
1 Scopus citations -
Influence of 1-Butene Adsorption on the Dimerization Activity of Single Metal Cations on UiO-66 Nodes
Löbbert, L., Chheda, S., Zheng, J., Khetrapal, N., Schmid, J., Zhao, R., Gaggioli, C. A., Camaioni, D. M., Bermejo-Deval, R., Gutiérrez, O. Y., Liu, Y., Siepmann, J. I., Neurock, M., Gagliardi, L. & Lercher, J. A., Jan 18 2023, In: Journal of the American Chemical Society. 145, 2, p. 1407-1422 16 p.Research output: Contribution to journal › Article › peer-review
9 Scopus citations