Title: Embedding theories for quantum simulations on hybrid classical-quantum architectures
Abstract: We discuss a recently developed quantum embedding theory [1] scalable to large systems, and its application to study spin-defects in solids. We compare the theory (which we call quantum defect embedding [QDET]) with other embedding frameworks [2],pointing out differences and similarities and target applications. We also present calculations on classical and quantum computers [3] of the electroni cstructure of qubits performed with QDET.
[1] He Ma, Marco Govoni and Giulia Galli, npj, Comput. Mat., 6 (85),(2020); He Ma, Nan Sheng, Marco Govoni and Giulia Galli, J.Chem. Theory Comput., 17, 2116-2125 (2021).
[2] Nan Sheng, Christian Vorwerk, Marco Govoni, and Giulia Galli, arXiv:2105.04736.
[3] Benchen Huang, Marco Govoni, and Giulia Galli 2021 (preprint).
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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. Prior to joining UChicago, she was Professor of Chemistry and Physics at UC Davis (2005-2013) and the head of the Quantum Simulations group at the Lawrence Livermore National Laboratory (LLNL, 1998-2005). She holds a Ph.D. 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, as well as a Fellow of the American Physical Society and the American Association for the Advancement of Science. She is the recipient of several awards, including the Materials Research Society Theory Award, the American Physical Society David Adler Award in Materials Physics, the Feynman Nanotechnology Prize in Theory, the medal of the Schola Physica Romana and the Tomassoni-Chisesi award by La Sapienza University in Rome, Italy. She is an expert 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.