Laura Gagliardi
Affiliations: | University of Chicago, Chicago, IL |
Area:
Computational Chemistry; Physical Chemistry; Inorganic Chemistry; Materials ChemistryWebsite:
https://chemistry.uchicago.edu/faculty/laura-gagliardiGoogle:
"Laura Gagliardi"Bio:
http://www.chem.umn.edu/groups/gagliardi/personal/index.html
Mean distance: 8.85 | S | N | B | C | P |
Parents
Sign in to add mentor| Gian Luigi Bendazzoli | grad student | 1993-1997 | Università di Bologna |
| Nicholas C. Handy | post-doc | 1997-1998 | Cambridge |
Children
Sign in to add trainee| Walter A. Rabanal-León | research assistant | 2017-2017 | UMN |
| Arturo Sauza-de la Vega | grad student | 2020- | Chicago |
| Bess Vlaisavljevich | grad student | 2008-2013 | UMN |
| Joshua Daniel Borycz | grad student | 2011-2016 | UMN |
| Soumen Ghosh | grad student | 2013-2018 | UMN |
| Prachi Sharma | grad student | 2015-2020 | UMN |
| Hung Q. Pham | grad student | 2015-2021 | UMN |
| Debmalya Ray | grad student | 2015-2021 | UMN |
| Varinia Bernales | post-doc | UMN | |
| Ruhee D'Cunha | post-doc | Chicago | |
| Andrea Darù | post-doc | ||
| Sijia Dong | post-doc | ||
| Jing Xie | post-doc | ||
| David Semrouni | post-doc | 2011- | UMN |
| Mukunda Mandal | post-doc | 2013- | Chicago |
| Bo Yang | post-doc | 2016- | UMN |
| Arup Sarkar | post-doc | 2021- | Chicago |
| Stefan M. Huber | post-doc | 2007-2008 | UMN |
| Guangqi Li | post-doc | 2014-2015 | UMN |
| Konstantinos Vogiatzis | post-doc | 2014-2016 | UMN |
| Jingyun Ye | post-doc | 2016-2018 | UMN |
| Xin-Ping Wu | post-doc | 2016-2019 | UMN |
| Meagan Oakley | post-doc | 2019-2020 | UMN (Neurotree) |
| WooSeok Jeong | post-doc | 2018-2021 | Chicago |
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Publications
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| Hennefarth MR, Hermes MR, Truhlar DG, et al. (2024) Analytic Nuclear Gradients for Complete Active Space Linearized Pair-Density Functional Theory. Journal of Chemical Theory and Computation |
| Calio PB, Hermes MR, Bao JJ, et al. (2024) Minimum-Energy Conical Intersections by Compressed Multistate Pair-Density Functional Theory. The Journal of Physical Chemistry. A. 128: 1698-1706 |
| King DS, Truhlar DG, Gagliardi L. (2023) Variational Active Space Selection with Multiconfiguration Pair-Density Functional Theory. Journal of Chemical Theory and Computation |
| Sarkar A, Gagliardi L. (2023) Multiconfiguration Pair-Density Functional Theory for Vertical Excitation Energies in Actinide Molecules. The Journal of Physical Chemistry. A. 127: 9389-9397 |
| Sarkar A, Hermes MR, Cramer CJ, et al. (2023) Understanding Antiferromagnetic and Ligand Field Effects on Spin Crossover in a Triple-Decker Dimeric Cr(II) Complex. Journal of the American Chemical Society. 145: 22394-22402 |
| Verma S, Mitra A, Jin Y, et al. (2023) Optical Properties of Neutral F Centers in Bulk MgO with Density Matrix Embedding. The Journal of Physical Chemistry Letters. 7703-7710 |
| Li Manni G, Fdez Galván I, Alavi A, et al. (2023) The OpenMolcas : A Community-Driven Approach to Advancing Computational Chemistry. Journal of Chemical Theory and Computation |
| Hennefarth MR, Hermes MR, Truhlar DG, et al. (2023) Linearized Pair-Density Functional Theory. Journal of Chemical Theory and Computation |
| Lykhin AO, Baumgarten MKA, Truhlar DG, et al. (2023) Dipole Moments and Transition Dipole Moments Calculated by Pair-Density Functional Theory with State Interaction. The Journal of Physical Chemistry. A. 127: 4194-4205 |
| Wang L, Sarkar A, Grocke GL, et al. (2023) Broad Electronic Modulation of Two-Dimensional Metal-Organic Frameworks over Four Distinct Redox States. Journal of the American Chemical Society |