No photo of Laura Gagliardi
Contact Expert

View Scopus Profile

Laura Gagliardi

1993 …2020

Research output per year

If you made any changes in Pure these will be visible here soon.

Fingerprint 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.

  • 24 Similar Profiles

Network Recent external collaboration on country level. Dive into details by clicking on the dots.

Projects

Multi-configuration pair-density functional theory for c

Gagliardi, L. & Truhlar, D. G.

National Science Foundation

8/1/18 → 7/31/21

Project: Research project

    • Actinide Center of Excellence (ACE)

    Gagliardi, L.

    University of Notre Dame

    10/1/17 → 9/30/20

    Project: Research project

    • NMGC: Nanoporous Materials Genome: Methods and Software to Optimize Gas Storage, Separations, and Catalysis (Phase 2)

    Siepmann, I., Cramer, C., Gagliardi, L., Truhlar, D. G., Tsapatsis, M. & Goodpaster, J. D.

    United States Department of Energy

    9/1/17 → 8/31/21

    Project: Research project

    • Predictive Hierarchical Modeling of Chemical Separations

    Siepmann, I., Cramer, C., Gagliardi, L., Truhlar, D. G. & Tsapatsis, M.

    9/1/12 → 8/31/20

    Project: Research project

    Multiconfigurational Quantum Chemical Study of Molecules

    Gagliardi, L.

    United States Department of Energy

    9/15/09 → 1/31/21

    Project: Research project

    Research Output

    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

    • 1 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

    • 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

    Open Access

    • Automation of Active Space Selection for Multireference Methods via Machine Learning on Chemical Bond Dissociation

    Jeong, W. S., Stoneburner, S. J., King, D., Li, R., Walker, A., Lindh, R. & Gagliardi, L., Apr 14 2020, In : Journal of Chemical Theory and Computation. 16, 4, p. 2389-2399 11 p.

    Research output: Contribution to journal › Article

    • Boosting Photoelectric Conductivity in Porphyrin-Based MOFs Incorporating C60

    Pratik, S. M., Gagliardi, L. & Cramer, C. J., Jan 23 2020, In : Journal of Physical Chemistry C. 124, 3, p. 1878-1887 10 p.

    Research output: Contribution to journal › Article