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International Standard Book Number-13: 978-0-309-69809-2
International Standard Book Number-10: 0-309-69809-X
Digital Object Identifier: https://doi.org/10.17226/26850
Library of Congress Control Number: 2023944701

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Suggested citation: National Academies of Sciences, Engineering, and Medicine. 2023. Advancing Chemistry and Quantum Information Science: An Assessment of Research Opportunities at the Interface of Chemistry and Quantum Information Science in the United States. Washington, DC: The National Academies Press. https://doi.org/10.17226/26850.

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COMMITTEE ON IDENTIFYING OPPORTUNITIES AT THE INTERFACE OF CHEMISTRY AND QUANTUM INFORMATION SCIENCE

THEODORE G. GOODSON, III (Chair), University of Michigan

DAVID D. AWSCHALOM, University of Chicago

RYAN J. BABBUSH, Google, LLC

LAWRENCE W. CHEUK, Princeton University

SCOTT K. CUSHING, California Institute of Technology

NATIA L. FRANK, University of Nevada, Reno

DANNA E. FREEDMAN, Massachusetts Institute of Technology

SINÉAD M. GRIFFIN, Lawrence Berkeley National Laboratory

STEPHEN O. HILL, Florida State University

HONGBIN LIU, Microsoft Quantum

MARILU PEREZ GARCIA, Ames Laboratory

BRENDA M. RUBENSTEIN, Brown University

ERIC J. SCHELTER, University of Pennsylvania

MICHAEL R. WASIELEWSKI, Northwestern University

DAMIAN WATKINS, Aperio Global

Staff

LINDA NHON, Study Director

ANDREW BREMER, Program Officer

AYANNA LYNCH, Research Assistant

KAYANNA WYMBS, Program Assistant

BOARD ON CHEMICAL SCIENCES AND TECHNOLOGY

SCOTT COLLICK (Co-Chair), Dupont

JENNIFER S. CURTIS (Co-Chair), University of California, Davis

GERARD BAILLELY, Procter & Gamble Company

RUBEN G. CARBONELL, North Carolina State University

KAREN L. GOLDBERG, University of Pennsylvania

JENNIFER M. HEEMSTRA, Emory University

JODIE LUTKENHAUS, Texas A&M University

SHELLEY D. MINTEER, University of Utah

AMY PRIETO, Colorado State University

MEGAN L. ROBERTSON, University of Houston

SALY ROMERO-TORRES, Thermo Fisher Scientific Pharma Services

REBECCA T. RUCK, Merck Research Laboratories

ANUP K. SINGH, Lawrence Livermore National Laboratory

VIJAY SWARUP, ExxonMobil Research and Engineering Company

Staff

CHARLES FERGUSON, Senior Board Director

LINDA NHON, Program Officer

LIANA VACCARI, Program Officer

JESSICA WOLFMAN, Research Associate

AYANNA LYNCH, Research Assistant

BRENNA ALBIN, Senior Program Assistant

KAYANNA WYMBS, Program Assistant

THANH NGUYEN, Finance Business Partner

BOARD ON LIFE SCIENCES

BARBARA A. SCHAAL (Co-Chair), Washington University in St. Louis

A. ALONSO AGUIRRE, George Mason University

DENISE N. BAKEN, Shield Analysis Technology, LLC

VALERIE H. BONHAM, Kennedy Krieger Institute

PATRICK M. BOYLE, Ginkgo Bioworks, Inc

DOMINIQUE BROSSARD, University of Wisconsin–Madison

SCOTT V. EDWARDS, Harvard University

GERALD L. EPSTEIN, National Defense University

ROBERT J. FULL, University of California, Berkeley

BERONDA MONTGOMERY, Michigan State University

LOUIS J. MUGLIA, Burroughs Wellcome Fund

ROBERT NEWMAN, Aspen Institute

LUCILA OHNO-MACHADO, University of California, San Diego

SUDIP S PARIKH, American Association for the Advancement of Science

NATHAN D. PRICE, Institute for Systems Biology

SUSAN R. SINGER, Rollins College

DAVID R WALT, Brigham and Women’s Hospital

PHYLLIS M. WISE, University of Colorado

Staff

KAVITA BERGER, Board Director

NANCY CONNELL, Senior Scientist

STEVEN MOSS, Senior Program Officer

ANDREW BREMER, Program Officer

LYLY LUHACHACK, Program Officer

TRISHA TUCHOLSKI, Associate Program Officer

JESSICA DE MOUY, Research Associate

SABINA VADNAIS, Research Associate

AUDREY THEVENON, Senior Program Officer

DASIA MCKOY, Program Assistant

CHRISTL SAUNDERS, Program Coordinator

NAM VU, Program Assistant

CYNTHIA GETNER, Senior Financial Business Partner

Reviewers

This Consensus Study Report was reviewed in draft form by individuals chosen for their diverse perspectives and technical expertise. The purpose of this independent review is to provide candid and critical comments that will assist the National Academies of Sciences, Engineering, and Medicine in making each published report as sound as possible and to ensure that it meets the institutional standards for quality, objectivity, evidence, and responsiveness to the study charge. The review comments and draft manuscript remain confidential to protect the integrity of the deliberative process.

We thank the following individuals for their review of this report:

Although the reviewers listed above provided many constructive comments and suggestions, they were not asked to endorse the conclusions or recommendations of this report nor did they see the final draft before its release. The review of this report was overseen by LOUIS BRUS (NAS), Columbia University, and DAVID M. CEPERLEY, University of Illinois at Urbana-Champaign. They were responsible for making certain that an independent examination of this report was carried out in accordance with the standards of the National Academies and that all review comments were carefully considered. Responsibility for the final content rests entirely with the authoring committee and the National Academies.

Contents

SUMMARY

1 INTRODUCTION

1.1 Study Origin and Statement of Task

1.2 Committee Scope

1.3 How to Use This Report

1.4 Overall Research Recommendation

1.5 Summary

References

2 DESIGN AND SYNTHESIS OF MOLECULAR QUBIT SYSTEMS

2.1 Identifying and Tailoring Molecular Qubit Properties for QIS Applications

2.2 Developing an Understanding of Molecular Structure–Property Relationships Needed for QIS Applications

2.3 Investigating the Interactions of Molecular Qubits with Their Environments

2.4 Designing Molecular Structures with Integrated Chirality-Induced Spin Selectivity Effects

2.5 Targeting Functionalization of Molecular Qubits for Sensing and Systems Integration

2.6 Developing Molecular Quantum Interconnects over Broad Length Scales Including Molecule-Based Quantum Repeaters

2.7 Fabricating Scalable Molecular Quantum Architectures Based on Molecular Qubits

2.8 Summary of Research Priorities and Recommendation

References

3 MEASUREMENT AND CONTROL OF MOLECULAR QUANTUM SYSTEMS

3.1 Develop New Approaches for Addressing and Controlling Multiple Electron and Nuclear Spins in Molecular Systems

3.2 Enhance Optical Control in Molecular Systems in QIS

3.3 Develop Techniques to Probe Molecular Qubits at Complex Interfaces to Inform Their Systematic Control

3.4 Develop Enhanced Spectroscopic and Microscopic Techniques with Nonclassical Light

3.5 Develop and Exploit Alternative Approaches to Spin Polarization and Coherence Control

3.6 Extend Quantum Teleportation Among Molecular Qubits

3.7 Develop Molecular Quantum Transduction Schemes That Take Advantage of Entangled Photons and Entangled Electron and Nuclear Spins

3.8 Advance Quantum Sensing Techniques to Further Understand Biological Systems

3.9 Use Bio-Inspired Quantum Processes to Develop New Quantum Technologies

3.10 Provide Broadly Accessible State-of-the-Art Measurement Techniques and Instrumentation for the Chemistry Community

3.11 Improve Infrastructure for Chemical Measurements in QIS

3.12 Summary of Research Priorities and Recommendation

References

4 EXPERIMENTAL AND COMPUTATIONAL APPROACHES FOR SCALING QUBIT DESIGN AND FUNCTION

4.1 Exploiting the Advantages of Bottom-Up Chemical Synthesis for Constructing Quantum Architectures

4.2 Developing Techniques for Synthesizing Molecular Qubits That Retain Their Desirable Quantum Properties in Different Host Chemical Environments

4.3 Modeling Chemistry Problems Using Quantum Computers

4.4 Summary of Research Priorities and Recommendations

References

5 BUILDING A DIVERSE, QUANTUM-CAPABLE WORKFORCE AND FOSTERING ECONOMIC DEVELOPMENT AT THE INTERSECTION OF QIS AND CHEMISTRY

5.1 Getting the Science Right for QIS and Chemistry Students

5.2 QIS and Chemistry Education Development

5.3 Barriers to Entry into QIS and Chemistry

5.4 Development of a Diverse, Quantum-Capable Workforce

5.5 Impacts of QIS and Chemistry on Economic Development

5.6 Summary of Recommendations

References

APPENDIXES

A COMMITTEE MEMBERS’ BIOGRAPHICAL SKETCHES

B AGENDAS FOR INFORMATION-GATHERING MEETINGS 1–3

C MULTIDISCIPLINARY CENTERS ESTABLISHED UNDER THE NATIONAL QUANTUM INITIATIVE ACT (NQIA) OR NATIONAL DEFENSE AUTHORIZATION ACT (NDAA) AND RELATED QIS PROGRAMS

D PROGRAMS OFFERING QISE (QUANTUM INFORMATION SCIENCE AND ENGINEERING)-RELATED DEGREES OR CERTIFICATES

E ACRONYMS AND GLOSSARY