World's Best Scientists 2026 revealed!

D-Index & Metrics

Chemistry

D-Index
104
Citations
39312
World Ranking
1056
National Ranking
421

Research.com Recognitions

  • 2020 - Fellow of the American Association for the Advancement of Science (AAAS)
  • 2020 - Fellow of the American Academy of Arts and Sciences
  • 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

Overview

Laura Gagliardi is affiliated with the University of Chicago in the United States and has contributed extensively to the fields of Materials Science and Chemistry. Their research primarily focuses on subfields including Materials Chemistry, Atomic and Molecular Physics and Optics, Inorganic Chemistry, Electronic, Optical and Magnetic Materials, and Catalysis.

The scientist's work encompasses a range of main topics, notably:

  • X-ray Diffraction in Crystallography
  • Crystallization and Solubility Studies
  • Metal-Organic Frameworks: Synthesis and Applications
  • Advanced Chemical Physics Studies
  • Machine Learning in Materials Science
  • Magnetism in Coordination Complexes
  • Spectroscopy and Quantum Chemical Studies

Among recent publications are:

  • Evolution of water structures in metal-organic frameworks for improved atmospheric water harvesting, 2021, Science
  • Using nature's blueprint to expand catalysis with Earth-abundant metals, 2020, Science
  • Machine learning the quantum-chemical properties of metal-organic frameworks for accelerated materials discovery, 2021, Matter
  • The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry, 2023, Journal of Chemical Theory and Computation
  • DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science, 2022, Physical Chemistry Chemical Physics

Frequent co-authors in their research include:

  • Matthew R. Hermes
  • Saumil Chheda
  • Donald G. Truhlar
  • Omar M. Yaghi
  • Joachim Sauer

Their publications are often found in prominent venues such as:

  • The Cambridge Structural Database
  • Journal of Chemical Theory and Computation
  • Journal of the American Chemical Society
  • arXiv (Cornell University)
  • Zenodo (CERN European Organization for Nuclear Research)

Awards recognizing their contributions include:

  • Fellow of the American Academy of Arts and Sciences, 2020
  • Fellow of the American Association for the Advancement of Science (AAAS), 2020
  • Member of Academia Europaea, 2018
  • Fellow of American Physical Society (APS), 2016, with a citation for seminal contributions to the development of electronic-structure methods and their application to understanding complex chemical systems, including the prediction of new materials and associated properties

Best Publications

  • Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table.

    Francesco Aquilante;Jochen Autschbach;Rebecca K. Carlson;Liviu F. Chibotaru

  • Cooperative insertion of CO2 in diamine-appended metal-organic frameworks

    Thomas M. McDonald;Jarad A. Mason;Xueqian Kong;Eric D. Bloch

  • OpenMolcas : From Source Code to Insight

    Ignacio Fernández Galván;Morgane Vacher;Ali Alavi;Celestino Angeli

  • NWChem: Past, Present, and Future

    E. Aprà;E. J. Bylaska;W. A. de Jong;N. Govind

  • NWChem: Past, present, and future

    E. Aprà;E. J. Bylaska;W. A. de Jong;N. Govind

  • 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

  • Evolution of water structures in metal-organic frameworks for improved atmospheric water harvesting.

    Nikita Hanikel;Xiaokun Pei;Saumil Chheda;Hao Lyu

  • 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

  • Using nature's blueprint to expand catalysis with Earth-abundant metals

    R. Morris Bullock;Jingguang G. Chen;Jingguang G. Chen;Laura Gagliardi;Paul J. Chirik

  • Multiconfiguration Pair-Density Functional Theory.

    Giovanni Li Manni;Rebecca K. Carlson;Sijie Luo;Dongxia Ma

  • Cerium Metal–Organic Framework for Photocatalysis

    Xin-Ping Wu;Laura Gagliardi;Donald G. Truhlar

  • 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

  • Machine learning the quantum-chemical properties of metal–organic frameworks for accelerated materials discovery

    Andrew S. Rosen;Shaelyn M. Iyer;Debmalya Ray;Zhenpeng Yao

  • Local properties of quantum chemical systems: The LoProp approach

    Laura Gagliardi;Roland Lindh;Gunnar Karlström

  • Methane Oxidation to Methanol Catalyzed by Cu-Oxo Clusters Stabilized in NU-1000 Metal-Organic Framework.

    Takaaki Ikuno;Jian Zheng;Aleksei Vjunov;Maricruz Sanchez-Sanchez

  • Ab initio carbon capture in open-site metal–organic frameworks

    Allison L. Dzubak;Li Chiang Lin;Jihan Kim;Joseph A. Swisher

  • Quantum chemical calculations show that the uranium molecule U2 has a quintuple bond.

    Laura Gagliardi;Björn O. Roos

  • Are Zr6-based MOFs water stable? Linker hydrolysis vs. capillary-force-driven channel collapse

    Joseph E. Mondloch;Michael J. Katz;Nora Planas;David Semrouni

  • Reaching the maximum multiplicity of the covalent chemical bond.

    Björn O Roos;Antonio Carlos Borin;Laura Gagliardi

  • Sintering-Resistant Single-Site Nickel Catalyst Supported by Metal–Organic Framework

    Zhanyong Li;Neil M. Schweitzer;Aaron B. League;Varinia Bernales

  • Multiconfiguration Pair-Density Functional Theory.

    Prachi Sharma;Jie J. Bao;Donald G. Truhlar;Laura Gagliardi

  • A Quantum Chemical Study of the Quintuple Bond between Two Chromium Centers in [PhCrCrPh]: trans‐Bent versus Linear Geometry

    Marcin Brynda;Laura Gagliardi;Per Olof Widmark;Philip P. Power

Frequent Co-Authors

Christopher J. Cramer
Christopher J. Cramer UL Research Institutes
Donald G. Truhlar
Donald G. Truhlar University of Minnesota
Omar K. Farha
Omar K. Farha Northwestern University
Joseph T. Hupp
Joseph T. Hupp Northwestern University
Jeffrey R. Long
Jeffrey R. Long Lawrence Berkeley National Laboratory
Lester Andrews
Lester Andrews University of Virginia
Ivan Infante
Ivan Infante Italian Institute of Technology
Berend Smit
Berend Smit University of California, Berkeley
Peter C. Burns
Peter C. Burns University of Notre Dame
Xuefeng Wang
Xuefeng Wang Tongji University

If you think any of the details on this page are incorrect, let us know.

Report an issue

We appreciate your kind effort to assist us to improve this page, it would be helpful providing us with as much detail as possible in the text box below:

Related Online Degrees & Career Pathways

For students studying Chemistry in the USA, exploring related fields can open diverse career opportunities. One such path is becoming an autopsy technician, where expertise in chemical analysis supports forensic investigations. Learn more about the role and requirements of an autopsy technician.

Those interested in expanding their knowledge through online studies may consider online forensic science courses. These programs often include chemistry-centered curricula, preparing students for specialized forensic roles.

For a more advanced educational path, forensic psychology master's programs complement a chemistry background by focusing on behavioral aspects within criminal investigations.

Graduates should also consider various forensic career paths and salary prospects. Understanding the financial outlook and job demand helps in making informed decisions about specialization and career development.

Best Scientists Citing Laura Gagliardi

Trending Scientists

Recently Published Articles