Projects per year
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Expertise related to UN Sustainable Devlopment 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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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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Multiconfiguration Pair-Density Functional Theory for Magnetic Systems
Gagliardi, L. & Truhlar, D. G.
9/15/20 → 9/14/21
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
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Analytic gradients for multiconfiguration pair-density functional theory with density fitting: Development and application to geometry optimization in the ground and excited states
Scott, T. R., Oakley, M. S., Hermes, M. R., Sand, A. M., Lindh, R., Truhlar, D. G. & Gagliardi, L., Feb 21 2021, In: Journal of Chemical Physics. 154, 7, 074108.Research output: Contribution to journal › Article › peer-review
Open Access -
Importance of Lattice Constants in QM/MM Calculations on Metal-Organic Frameworks
Yang, B., Wu, X. P., Gagliardi, L. & Truhlar, D. G., Jun 10 2021, In: Journal of Physical Chemistry B. 125, 22, p. 5786-5793 8 p.Research output: Contribution to journal › Article › peer-review
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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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Localized Active Space Pair-Density Functional Theory
Pandharkar, R., Hermes, M. R., Cramer, C. J., Truhlar, D. G. & Gagliardi, L., May 11 2021, In: Journal of Chemical Theory and Computation. 17, 5, p. 2843-2851 9 p.Research output: Contribution to journal › Article › peer-review
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Multiconfiguration Density-Coherence Functional Theory
Zhang, D., Hermes, M. R., Gagliardi, L. & Truhlar, D. G., May 11 2021, In: Journal of Chemical Theory and Computation. 17, 5, p. 2775-2782 8 p.Research output: Contribution to journal › Article › peer-review