Giulia Galli
· Liew Family Professor of Molecular Engineering in the UChicago Pritzker School of Molecular EngineeringUniversity of Chicago · Departments of Physics and Molecular Genetics and Cell Biology
Active 1968–2026
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About
Giulia Galli is the Liew Family Professor of Electronic Structure and Simulations in the Pritzker School of Molecular Engineering and the Department of Chemistry at the University of Chicago. She also holds a senior scientist position at Argonne National Laboratory, where she is a group leader and the director of the Midwest Integrated Center for Computational Materials. Her expertise lies in the development of theoretical and computational methods to predict and engineer material and molecular properties from first principles. Her research focuses on problems relevant to the development of sustainable energy sources and quantum technologies. Prior to her current roles, she was a professor of chemistry and physics at the University of California, Davis, and the head of the Quantum Simulations group at Lawrence Livermore National Laboratory. She holds a PhD in Physics from the International School of Advanced Studies in Trieste, Italy. She is a member of the National Academy of Sciences, the American Academy of Arts and Science, and the International Academy of Quantum Molecular Science, and is a fellow of the American Physical Society and the American Association for the Advancement of Science. She has received numerous awards, including the Materials Research Society Theory Award, the American Physical Society David Adler Award in Materials Physics, the Feynman Nanotechnology Prize in Theory, among others.
Research topics
- Computer Science
- Materials science
- Nanotechnology
- Physics
- Engineering physics
- Condensed matter physics
- Chemistry
- Computational chemistry
- Quantum mechanics
- Engineering
Selected publications
Quantum guidelines for solid-state spin defects
Nature Reviews Materials · 2021 · 498 citations
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science
Physical Chemistry Chemical Physics · 2022 · 260 citations
In this paper, the history, present status, and future of density-functional theory (DFT) is informally reviewed and discussed by 70 workers in the field, including molecular scientists, materials scientists, method developers and practitioners. The format of the paper is that of a roundtable discussion, in which the participants express and exchange views on DFT in the form of 302 individual contributions, formulated as responses to a preset list of 26 questions. Supported by a bibliography of…
Entanglement and Control of Single Nuclear Spins in Isotopically Engineered Silicon Carbide
Nature Materials · 2020 · 156 citations
Nuclear spins in the solid state are both a cause of decoherence and a valuable resource for spin qubits. In this work, we demonstrate control of isolated 29Si nuclear spins in silicon carbide (SiC) to create an entangled state between an optically active divacancy spin and a strongly coupled nuclear register. We then show how isotopic engineering of SiC unlocks control of single weakly coupled nuclear spins and present an ab initio method to predict the optimal isotopic fraction that maximizes…
Imaging the Meissner effect in hydride superconductors using quantum sensors
Nature · 2024 · 105 citations
Roadmap on electronic structure codes in the exascale era
Modelling and Simulation in Materials Science and Engineering · 2023 · 72 citations
Abstract Electronic structure calculations have been instrumental in providing many important insights into a range of physical and chemical properties of various molecular and solid-state systems. Their importance to various fields, including materials science, chemical sciences, computational chemistry, and device physics, is underscored by the large fraction of available public supercomputing resources devoted to these calculations. As we enter the exascale era, exciting new opportunities to…
Frequent coauthors
- 220 shared
Marco Govoni
Argonne National Laboratory
- 176 shared
François Gygi
University of California, Davis
- 99 shared
Eric Schwegler
Lawrence Livermore National Laboratory
- 84 shared
D. D. Awschalom
- 71 shared
Márton Vörös
Samsung (United States)
- 55 shared
Mykyta Onizhuk
University of Chicago
- 52 shared
Tuan Anh Pham
Lawrence Livermore National Laboratory
- 49 shared
Davide Donadio
Labs
Awards & honors
- Materials Research Society Theory Award
- American Physical Society David Adler Award in Materials Phy…
- Feynman Nanotechnology Prize in Theory
- medal of the Schola Physica Romana
- Tomassoni-Chisesi award by La Sapienza University in Rome
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