OpenFermion: the electronic structure package for quantum computers
Quantum Science and Technology, vol. 5, pp. 034014
Abstract
Abstract Quantum simulation of chemistry and materials is predicted to be an important application for both near-term and fault-tolerant quantum devices. However, at present, developing and studying algorithms for these problems can be difficult due to the prohibitive amount of domain knowledge required in both the area of chemistry and quantum algorithms. To help bridge this gap and open the field to more researchers, we have developed the OpenFermion software package ( www.openfermion.org ). OpenFermion is an open-source software library written largely in Python under an Apache 2.0 license, aimed at enabling the simulation of fermionic and bosonic models and quantum chemistry problems on quantum hardware. Beginning with an interface to common electronic structure packages, it simplifies the translation between a molecular specification and a quantum circuit for solving or studying the electronic structure problem on a quantum computer, minimizing the amount of domain expertise required to enter the field. The package is designed to be extensible and robust, maintaining high software standards in documentation and testing. This release paper outlines the key motivations behind design choices in OpenFermion and discusses some basic OpenFermion functionality which we believe will aid the community in the development of better quantum algorithms and tools for this exciting area of research.
Authors 34
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Google (United States) · Freie Universität Berlin
Affiliation as printed
Dahlem Center for Complex Quantum Systems, Freie Universität Berlin, 14195 Berlin, Germany
Google Research, Mountain View, CA, United States of America
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Google (United States) · Rigetti Computing (United States)
Affiliation as printed
Google Research, Mountain View, CA, United States of America
Rigetti Computing, Berkeley CA 94710, United States of America
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Google (United States) · University of Michigan
Affiliation as printed
Department of Electrical Engineering and Computer Science, University of Michigan, Ann Arbor, MI 48109, United States of America
Google Research, Mountain View, CA, United States of America
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Google (United States) · Harvard University
Affiliation as printed
Department of Physics, Harvard University, Cambridge, MA 02138, United States of America
Google Research, Mountain View, CA, United States of America
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Leiden University · QuTech · Delft University of Technology
Affiliation as printed
Instituut-Lorentz, Universiteit Leiden, 2300 RA Leiden, The Netherlands
QuTech, Delft University of Technology, Lorentzweg 1, 2628 CJ Delft, The Netherlands
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Harvard University · Zapata (United States)
Affiliation as printed
Department of Chemistry and Chemical Biology, Harvard University, Cambridge, MA 02138, United States of America
Zapata Computing Inc., Cambridge 02138, United States of America
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Affiliation as printed
Department of Physics, University of Michigan, Ann Arbor, MI 48109, United States of America
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Harvard University · Rigetti Computing (United States)
Affiliation as printed
Department of Chemistry and Chemical Biology, Harvard University, Cambridge, MA 02138, United States of America
Rigetti Computing, Berkeley CA 94710, United States of America
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Affiliation as printed
Google Research, Mountain View, CA, United States of America
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Affiliation as printed
Department of Electrical Engineering and Computer Science, University of Michigan, Ann Arbor, MI 48109, United States of America
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Affiliation as printed
Department of Computer Science, University of Chicago, Chicago, IL 60637, United States of America
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Affiliation as printed
Theoretische Physik, ETH Zurich, 8093 Zurich, Switzerland
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Affiliation as printed
Department of Physics, Dartmouth College, Hanover, NH 03755, United States of America
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Affiliation as printed
Department of Computer Science, Oxford University, Oxford OX1 3QD, United Kingdom
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Affiliation as printed
Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, United Kingdom
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Affiliation as printed
Department of Electrical Engineering and Computer Science, University of Michigan, Ann Arbor, MI 48109, United States of America
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Xanadu Quantum Technologies (Canada)
Affiliation as printed
Xanadu, 372 Richmond St W, Toronto, M5V 1X6, Canada
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Ames Research Center · Google (United States)
Affiliation as printed
Google Research, Mountain View, CA, United States of America
QuAIL, NASA Ames Research Center, Moffett Field, CA 94035, United States of America
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Affiliation as printed
Google Inc., Mountain View, CA 94043, United States of America
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Affiliation as printed
Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH, United Kingdom
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Affiliation as printed
Google Research, Mountain View, CA, United States of America
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Affiliation as printed
D-Wave Systems Inc., Burnaby, BC, Canada
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University of California, Santa Barbara · Zapata (United States)
Affiliation as printed
Materials Department, University of California Santa Barbara, Santa Barbara, CA 93106, United States of America
Zapata Computing Inc., Cambridge 02138, United States of America
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Harvard University · Zapata (United States)
Affiliation as printed
Department of Chemistry and Chemical Biology, Harvard University, Cambridge, MA 02138, United States of America
Zapata Computing Inc., Cambridge 02138, United States of America
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Affiliation as printed
Department of Chemistry and Chemical Biology, Harvard University, Cambridge, MA 02138, United States of America
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Leiden University · Vrije Universiteit Amsterdam
Affiliation as printed
Division of Theoretical Chemistry, Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
Instituut-Lorentz, Universiteit Leiden, 2300 RA Leiden, The Netherlands
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Affiliation as printed
Department of Physics, Dartmouth College, Hanover, NH 03755, United States of America
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Affiliation as printed
Department of Chemistry and Chemical Biology, Harvard University, Cambridge, MA 02138, United States of America
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Google (United States) · ETH Zurich
Affiliation as printed
Google Inc., Venice, CA 90291, United States of America
Theoretische Physik, ETH Zurich, 8093 Zurich, Switzerland
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Leiden University · QuTech · Freie Universität Berlin · Delft University of Technology
Affiliation as printed
Dahlem Center for Complex Quantum Systems, Freie Universität Berlin, 14195 Berlin, Germany
Instituut-Lorentz, Universiteit Leiden, 2300 RA Leiden, The Netherlands
QuTech, Delft University of Technology, Lorentzweg 1, 2628 CJ Delft, The Netherlands
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California Institute of Technology
Affiliation as printed
Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, CA 91125, United States of America
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Riverlane (United Kingdom) · Joint Center for Quantum Information and Computer Science · University of Maryland, College Park
Affiliation as printed
Joint Center for Quantum Information and Computer Science, University of Maryland, College Park, MD 20742, United States of America
Riverlane, Cambridge CB2 3BZ, United Kingdom
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Affiliation as printed
Department of Electrical Engineering and Computer Science, University of Michigan, Ann Arbor, MI 48109, United States of America
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Google (United States) · Freie Universität Berlin
Affiliation as printed
Dahlem Center for Complex Quantum Systems, Freie Universität Berlin, 14195 Berlin, Germany
Google Research, Mountain View, CA, United States of America
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