Projects per year
Personal profile
Expertise related to UN SDGs
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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Dive into the research topics where Laura Gagliardi is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
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Projects and Grants
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Multiconfiguration Pair-Density Functional Theory for Magnetic Systems
Gagliardi, L. & Truhlar, D. G.
9/15/20 → 9/14/24
Project: Research project
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Multi-configuration pair-density functional theory for c
Gagliardi, L. & Truhlar, D. G.
8/1/18 → 7/31/21
Project: Research project
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Predictive Hierarchical Modeling of Chemical Separations
Siepmann, I., Cramer, C., Gagliardi, L., Truhlar, D. G. & Tsapatsis, M.
9/1/12 → 8/31/21
Project: Research project
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NIST SURF Application University of Minnesota - Michlell
USDOC NATL INST OF STANDARDS AND TECH (N
5/1/18 → 9/30/18
Project: Research project
Research output
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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., Jan 15 2021, In: ACS Catalysis. 11, 2, p. 579-589 11 p.Research output: Contribution to journal › Article › peer-review
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Actinide 2-metallabiphenylenes that satisfy Hückel’s rule
Pagano, J. K., Xie, J., Erickson, K. A., Cope, S. K., Scott, B. L., Wu, R., Waterman, R., Morris, D. E., Yang, P., Gagliardi, L. & Kiplinger, J. L., Feb 27 2020, In: Nature. 578, 7796, p. 563-567 5 p.Research output: Contribution to journal › Article › peer-review
5 Scopus citations -
Advancement of Actinide Metal-Organic Framework Chemistry via Synthesis of Pu-UiO-66
Hastings, A. M., Ray, D., Jeong, W., Gagliardi, L., Farha, O. K. & Hixon, A. E., May 20 2020, In: Journal of the American Chemical Society. 142, 20, p. 9363-9371 9 p.Research output: Contribution to journal › Article › peer-review
3 Scopus citations -
Analytic gradients for state-averaged multiconfiguration pair-density functional theory
Scott, T. R., Hermes, M. R., Sand, A. M., Oakley, M. S., Truhlar, D. G. & Gagliardi, L., Jul 7 2020, In: Journal of Chemical Physics. 153, 1, 014106.Research output: Contribution to journal › Article › peer-review
Open Access -
A New Mixing of Nonlocal Exchange and Nonlocal Correlation with Multiconfiguration Pair-Density Functional Theory
Pandharkar, R., Hermes, M. R., Truhlar, D. G. & Gagliardi, L., Dec 3 2020, In: Journal of Physical Chemistry Letters. 11, 23, p. 10158-10163 6 p.Research output: Contribution to journal › Article › peer-review