2020 - Fellow of the American Academy of Arts and Sciences
2020 - Fellow of the American Association for the Advancement of Science (AAAS)
2018 - Member of Academia Europaea
2016 - Fellow of American Physical Society (APS) Citation For seminal contributions to the development of electronicstructure methods and their application to the understanding of complex chemical systems, including the prediction of new materials and associated properties
Laura Gagliardi spends much of her time researching Crystallography, Metal-organic framework, Catalysis, Inorganic chemistry and Computational chemistry. Her Crystallography research is multidisciplinary, relying on both Transition metal, Cobalt, Electronic structure, Metal and Lanthanide. Her Electronic structure research integrates issues from Actinide, Excited state, Wave function, Atomic physics and Atomic orbital.
Her work deals with themes such as Nanotechnology, Oxide, Chemical engineering and Density functional theory, which intersect with Metal-organic framework. Her research in Catalysis intersects with topics in Photochemistry and Medicinal chemistry. Her Computational chemistry research incorporates themes from Chemical physics, Single bond, Sextuple bond, Bond order and Ab initio.
Laura Gagliardi mainly focuses on Density functional theory, Crystallography, Computational chemistry, Molecule and Metal-organic framework. The Density functional theory study combines topics in areas such as Perturbation theory, Excited state, Wave function, Atomic physics and Electronic structure. Her biological study spans a wide range of topics, including Inorganic chemistry, Ligand, Metal and Stereochemistry.
Her research integrates issues of Chemical physics, Bond order and Quantum chemical in her study of Computational chemistry. Her Molecule research incorporates elements of Ion and Physical chemistry. As a part of the same scientific study, she usually deals with the Metal-organic framework, concentrating on Catalysis and frequently concerns with Photochemistry.
Her primary scientific interests are in Density functional theory, Metal-organic framework, Electronic structure, Catalysis and Wave function. Laura Gagliardi has researched Density functional theory in several fields, including Excited state, Perturbation theory and Ground state. Her Metal-organic framework research is multidisciplinary, relying on both Inorganic chemistry, Chemical engineering, Metal and Conductivity.
She has included themes like Quantum chemical, Crystallography, Ionic bonding, Density matrix and Band gap in her Electronic structure study. Her Crystallography research is multidisciplinary, incorporating perspectives in Dimer and Absorption spectroscopy. Her Catalysis study combines topics in areas such as Nickel, Nanotechnology and Methane.
Laura Gagliardi focuses on Metal-organic framework, Density functional theory, Catalysis, Electronic structure and Crystallography. The concepts of her Metal-organic framework study are interwoven with issues in Photochemistry, Metal and Polymer chemistry. Laura Gagliardi combines subjects such as Chemical physics, Spin states, Singlet state and Perturbation theory with her study of Density functional theory.
In her study, which falls under the umbrella issue of Perturbation theory, Wave function is strongly linked to Limit. Her Catalysis research is multidisciplinary, incorporating elements of Ligand, Ion and Nanotechnology. Her studies deal with areas such as Bimetallic strip and Nickel as well as Crystallography.
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Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table.
Francesco Aquilante;Jochen Autschbach;Rebecca K. Carlson;Liviu F. Chibotaru.
Journal of Computational Chemistry (2016)
Cooperative insertion of CO2 in diamine-appended metal-organic frameworks
Thomas M. McDonald;Jarad A. Mason;Xueqian Kong;Eric D. Bloch.
On the Mechanism of the cis−trans Isomerization in the Lowest Electronic States of Azobenzene: S0, S1, and T1
Alessandro Cembran;Fernando Bernardi;Marco Garavelli;Laura Gagliardi.
Journal of the American Chemical Society (2004)
The restricted active space followed by second-order perturbation theory method : Theory and application to the study of CUO2 and CU2O2 systems
Per A. ˚Ke Malmqvist;Kristine Pierloot;Abdul Rehaman Moughal Shahi;Christopher J. Cramer.
Journal of Chemical Physics (2008)
OpenMolcas : From Source Code to Insight
Ignacio Fernández Galván;Morgane Vacher;Ali Alavi;Celestino Angeli.
Journal of Chemical Theory and Computation (2019)
Oxidation of ethane to ethanol by N2O in a metal–organic framework with coordinatively unsaturated iron(II) sites
Dianne J. Xiao;Eric D. Bloch;Jarad A. Mason;Wendy L. Queen.
Nature Chemistry (2014)
Local properties of quantum chemical systems: The LoProp approach
Laura Gagliardi;Roland Lindh;Gunnar Karlström.
Journal of Chemical Physics (2004)
Quantum chemical calculations show that the uranium molecule U2 has a quintuple bond.
Laura Gagliardi;Björn O. Roos.
Multiconfiguration Pair-Density Functional Theory.
Giovanni Li Manni;Rebecca K. Carlson;Sijie Luo;Dongxia Ma.
Journal of Chemical Theory and Computation (2014)
Reaching the maximum multiplicity of the covalent chemical bond.
Björn O Roos;Antonio Carlos Borin;Laura Gagliardi.
Angewandte Chemie (2007)
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