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Suggested Citation:"Front Matter." National Academies of Sciences, Engineering, and Medicine. 2023. NSF Efforts to Achieve the Nation's Vision for the Materials Genome Initiative: Designing Materials to Revolutionize and Engineer Our Future (DMREF). Washington, DC: The National Academies Press. doi: 10.17226/26723.
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Image

NSF Efforts to Achieve
the Nation’s Vision for
the Materials Genome
Initiative

Designing Materials to Revolutionize
and Engineer Our Future (DMREF)

______

Committee on Advising NSF on Its Efforts to Achieve the
Nation’s Vision for the Materials Genome Initiative

National Materials and Manufacturing Board

Division on Engineering and Physical Sciences


Consensus Study Report

Suggested Citation:"Front Matter." National Academies of Sciences, Engineering, and Medicine. 2023. NSF Efforts to Achieve the Nation's Vision for the Materials Genome Initiative: Designing Materials to Revolutionize and Engineer Our Future (DMREF). Washington, DC: The National Academies Press. doi: 10.17226/26723.
×

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This activity was supported by Award 2054501 with the National Science Foundation. Any opinions, findings, conclusions, or recommendations expressed in this publication do not necessarily reflect the views of any organization or agency that provided support for the project.

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Suggested citation: National Academies of Sciences, Engineering, and Medicine. 2023. NSF Efforts to Achieve the Nation’s Vision for the Materials Genome Initiative: Designing Materials to Revolutionize and Engineer Our Future (DMREF). Washington, DC: The National Academies Press. https://doi.org/10.17226/26723.

Suggested Citation:"Front Matter." National Academies of Sciences, Engineering, and Medicine. 2023. NSF Efforts to Achieve the Nation's Vision for the Materials Genome Initiative: Designing Materials to Revolutionize and Engineer Our Future (DMREF). Washington, DC: The National Academies Press. doi: 10.17226/26723.
×

The National Academy of Sciences was established in 1863 by an Act of Congress, signed by President Lincoln, as a private, nongovernmental institution to advise the nation on issues related to science and technology. Members are elected by their peers for outstanding contributions to research. Dr. Marcia McNutt is president.

The National Academy of Engineering was established in 1964 under the charter of the National Academy of Sciences to bring the practices of engineering to advising the nation. Members are elected by their peers for extraordinary contributions to engineering. Dr. John L. Anderson is president.

The National Academy of Medicine (formerly the Institute of Medicine) was established in 1970 under the charter of the National Academy of Sciences to advise the nation on medical and health issues. Members are elected by their peers for distinguished contributions to medicine and health. Dr. Victor J. Dzau is president.

The three Academies work together as the National Academies of Sciences, Engineering, and Medicine to provide independent, objective analysis and advice to the nation and conduct other activities to solve complex problems and inform public policy decisions. The National Academies also encourage education and research, recognize outstanding contributions to knowledge, and increase public understanding in matters of science, engineering, and medicine.

Learn more about the National Academies of Sciences, Engineering, and Medicine at www.nationalacademies.org.

Suggested Citation:"Front Matter." National Academies of Sciences, Engineering, and Medicine. 2023. NSF Efforts to Achieve the Nation's Vision for the Materials Genome Initiative: Designing Materials to Revolutionize and Engineer Our Future (DMREF). Washington, DC: The National Academies Press. doi: 10.17226/26723.
×

Consensus Study Reports published by the National Academies of Sciences, Engineering, and Medicine document the evidence-based consensus on the study’s statement of task by an authoring committee of experts. Reports typically include findings, conclusions, and recommendations based on information gathered by the committee and the committee’s deliberations. Each report has been subjected to a rigorous and independent peer-review process and it represents the position of the National Academies on the statement of task.

Proceedings published by the National Academies of Sciences, Engineering, and Medicine chronicle the presentations and discussions at a workshop, symposium, or other event convened by the National Academies. The statements and opinions contained in proceedings are those of the participants and are not endorsed by other participants, the planning committee, or the National Academies.

Rapid Expert Consultations published by the National Academies of Sciences, Engineering, and Medicine are authored by subject-matter experts on narrowly focused topics that can be supported by a body of evidence. The discussions contained in rapid expert consultations are considered those of the authors and do not contain policy recommendations. Rapid expert consultations are reviewed by the institution before release.

For information about other products and activities of the National Academies, please visit www.nationalacademies.org/about/whatwedo.

Suggested Citation:"Front Matter." National Academies of Sciences, Engineering, and Medicine. 2023. NSF Efforts to Achieve the Nation's Vision for the Materials Genome Initiative: Designing Materials to Revolutionize and Engineer Our Future (DMREF). Washington, DC: The National Academies Press. doi: 10.17226/26723.
×

COMMITTEE ON ADVISING NSF ON ITS EFFORTS TO ACHIEVE THE NATION’S VISION FOR THE MATERIALS GENOME INITIATIVE

RONALD LATANISION (NAE), Exponent, Inc., Co-Chair

KARIN M. RABE (NAS), Rutgers, The State University of New Jersey, Co-Chair

RAYMUNDO ARROYAVE, Texas A&M University

GERBRAND CEDER (NAE), University of California, Berkeley

FELICIANO GIUSTINO, The University of Texas at Austin

AMIT GOYAL (NAE), State University of New York at Buffalo

OLIVIA GRAEVE, University of California, San Diego

DAVID GREEN, University of Virginia

PREETI KAMAKOTI, ExxonMobil

ROBERT V. KOHN, New York University

JOHN MAURO (NAE), The Pennsylvania State University

RISTO NIEMINEN (NAS), Aalto University (Emeritus)

SHERINE OBARE, Western Michigan University

TRESA POLLOCK (NAE), University of California, Santa Barbara

AARTI SINGH, Carnegie Mellon University

DEIDRE STRAND, Wildcat Discovery Technologies

KATSUYO THORNTON, University of Michigan

RICHARD VAIA (NAE), Air Force Research Laboratory

KAREN L. WOOLEY (NAS), Texas A&M University

Staff

ERIK B. SVEDBERG, Scholar and Study Director

MICHELLE SCHWALBE, Director, National Materials and Manufacturing Board and Board on Mathematical Sciences and Analytics

NEERAJ GORKHALY, Associate Program Officer

AMISHA JINANDRA, Associate Program Officer

JOSEPH PALMER, Senior Project Assistant

Suggested Citation:"Front Matter." National Academies of Sciences, Engineering, and Medicine. 2023. NSF Efforts to Achieve the Nation's Vision for the Materials Genome Initiative: Designing Materials to Revolutionize and Engineer Our Future (DMREF). Washington, DC: The National Academies Press. doi: 10.17226/26723.
×

NATIONAL MATERIALS AND MANUFACTURING BOARD

THERESA KOTANCHEK (NAE), Evolved Analytics, LLC, Chair

JOHN KLIER, University of Massachusetts Amherst, Vice Chair

KEVIN ANDERSON (NAE), Brunswick Corporation

CRAIG ARNOLD, Princeton University

FELICIA J. BENTON-JOHNSON, Georgia Institute of Technology

WILLIAM B. BONVILLIAN, Massachusetts Institute of Technology

JIAN CAO (NAE), Northwestern University

ELLIOT L. CHAIKOF (NAM), Harvard University

JULIE A. CHRISTODOULOU, Office of Naval Research (retired)

TERESA CLEMENT, Raytheon Missile Systems

STEPHEN FORREST (NAS/NAE), University of Michigan

AMIT GOYAL (NAE), State University of New York at Buffalo

JULIA GREER, California Institute of Technology

SATYANDRA K. GUPTA, University of Southern California

BRADLEY A. JAMES, Exponent, Inc.

THOMAS R. KURFESS (NAE), Georgia Institute of Technology

MICHAEL (MICK) MAHER, Maher & Associates, LLC

RAMULU MAMIDALA, University of Washington

SHIRLEY MENG, University of Chicago

OMKARAM (OM) NALAMASU (NAE), Applied Materials, Inc.

MATTHEW J. ZALUZEC, University of Florida

Staff

MICHELLE SCHWALBE, Director, National Materials and Manufacturing Board and Board on Mathematical Sciences and Analytics

ERIK B. SVEDBERG, Scholar

NEERAJ GORKHALY, Associate Program Officer

AMISHA JINANDRA, Associate Program Officer

JOSEPH PALMER, Senior Project Assistant

Suggested Citation:"Front Matter." National Academies of Sciences, Engineering, and Medicine. 2023. NSF Efforts to Achieve the Nation's Vision for the Materials Genome Initiative: Designing Materials to Revolutionize and Engineer Our Future (DMREF). Washington, DC: The National Academies Press. doi: 10.17226/26723.
×

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:

Viola L. Acoff, University of Alabama

Tia Benson Tolle, The Boeing Company

Charles Kuehmann, SpaceX and Tesla Motors

Jianfeng Lu, Duke University

Nadya Mason (NAE), University of Illinois at Urbana-Champaign

Erica P. Murray, Louisiana Tech University

Orlando Rios, The University of Tennessee Knoxville

Susan Sinnott, The Pennsylvania State University

Sara Skrabalak, Indiana University

Although the reviewers listed above provided many constructive comments and suggestions, they were not asked to endorse the conclusions or recommendations

Page viii Cite
Suggested Citation:"Front Matter." National Academies of Sciences, Engineering, and Medicine. 2023. NSF Efforts to Achieve the Nation's Vision for the Materials Genome Initiative: Designing Materials to Revolutionize and Engineer Our Future (DMREF). Washington, DC: The National Academies Press. doi: 10.17226/26723.
×

of this report nor did they see the final draft before its release. The review of this report was overseen by Aziz Asphahani (NAE), QuesTek Innovations, LLC, and Elsa Reichmanis (NAE), Lehigh University. 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.

Suggested Citation:"Front Matter." National Academies of Sciences, Engineering, and Medicine. 2023. NSF Efforts to Achieve the Nation's Vision for the Materials Genome Initiative: Designing Materials to Revolutionize and Engineer Our Future (DMREF). Washington, DC: The National Academies Press. doi: 10.17226/26723.
×

Acknowledgments

The committee would like to thank the following individuals who added to the members’ understanding of the National Science Foundation’s (NSF’s) Designing Materials to Revolutionize and Engineer Our Future (DMREF) program, the Materials Genome Initiative (MGI), and many other programs both domestically and internationally:

Kevin Anderson, Mercury Marine; Peter Anderson, NSF; Saleh Akram Bhuiyan, Michigan Technological University; Marian Bocea, NSF; Rajendra Bordia, Saint-Gobain; Bryan Boudouris, NSF; Alex Bourque, 3M Corporate Research Analytical Laboratory; Richard Braatz, ExxonMobil; Donald Brenner, North Carolina State University; Connor Callaway, University of Kentucky; John Cavin, Northwestern University; Adam Chamberlain, Rolls-Royce; K.S. Ravi Chandran, The University of Utah; Julie Christodoulou, U.S. Navy; Andrew Cooper, Liverpool Materials Innovation Factory; Michael Demkowicz, Texas A&M University College of Engineering; Ben Derby, Los Alamos National Laboratory; Jim Donlon, NSF; Claudia Draxl, FAIR Data Infrastructure for Physics, Chemistry, Materials Science, and Astronomy e.V.; Padraic Foley, University of Toronto; Lisa Friedersdorf, National Nanotechnology Coordination Office; Giulia Galli, University of Chicago; Tiziana Giorgi, NSF; Ruyan Guo, NSF; Hendrik Heinz, University of Colorado Boulder; Elizabeth Holm, Carnegie Mellon University; Chaofan (Bill) Huang, student; Bryan Huey, University of Connecticut; Ben Jean, student; Priya Katyal, University of Connecticut; Veerle Keppens, The University of Tennessee Knoxville; Bassel Khoury,

Suggested Citation:"Front Matter." National Academies of Sciences, Engineering, and Medicine. 2023. NSF Efforts to Achieve the Nation's Vision for the Materials Genome Initiative: Designing Materials to Revolutionize and Engineer Our Future (DMREF). Washington, DC: The National Academies Press. doi: 10.17226/26723.
×

Cornell University; Gabi Kotliar, Rutgers University; Tom Kuech, NSF; Yakov Kutsovsky, MateriaX and previously Cabot; Paul Lane, NSF; Alexis Lewis, NSF; Yifan Liu, student; Ziwei Liu, Cornell University; Elisabeth Lloyd, The Pennsylvania State University; Mark Losego, Georgia Institute of Technology; Nicola Marzari, Laboratory for Materials Simulations; Ian McCue, Northwestern University; Emily McGuinness, student/postdoc; Michael Mills, National Aeronautics and Space Administration; Amit Misra, University of Michigan; Aravind Mohanram, Saint-Gobain; Ahmad Moini, BASF Catalysts; Joseph Montoya, Toyota; Greg Mulholland, Citrine.io; Janice Musfeldt, The University of Tennessee Knoxville; Bill Olbricht, NSF; Eugene Olevsky, San Diego State University; Greg Olson, QuesTek; Elizabeth Opila, University of Virginia; Tugce Ozturk, SAP; Ranjith Krishna Pai, Ministry of Science and Technology India; John Parise, State University of New York at Stony Brook; Atoosa Parsa, University of Vermont; Kristin Persson, University of California, Berkeley; Jed Pitera, IBM; Siddiq Qidwai, NSF; Dierk Raabe, Max-Planck-Institut fuer Eisenforschung GmbH; Yevgeny Rakita, Columbia University; Yi Ren, student; George Rodriguez, ExxonMobil; Gregory Rutledge, Massachusetts Institute of Technology; Tony Sanders, Ortho Development; Linda S. Sapochak, NSF; John Schlueter, NSF; William Schneider, University of Notre Dame; Stephan Andreas Schunk, High Throughput Experimentation Company; Shahab Shojaei-Zadeh, NSF; Sandra H. Skjaervoe, Columbia University; Timothy Smith, National Aeronautics and Space Administration; Ignacio Garzon Sosa, Universidad Nacional Autónoma de México; Rob Stone, NSF; Tibor Szilvasi, University of Alabama; Izabela Szlufarska, University of Wisconsin–Madison; Kevin R. Talley, Qorvo; Suk-Wah Tam-Chang, NSF; Rahul Venkatesh, Georgia Institute of Technology; Ralph Wachter, NSF; John Walsh, advisor to Sekkyun; Jia Wang, University of Nebraska–Lincoln; Charles Ward, U.S. Air Force; Jim Warren, National Institute of Standards and Technology; Seokkyun Woo, Georgia Institute of Technology; and Sophia Yaliraki, Institute for Digital Molecular Design and Fabrication.

Every member of the committee made heroic efforts to complete this daunting task. Erik Svedberg provided guidance and management, and we also appreciate similar support from Michelle Schwalbe. We thank the outside speakers listed and are grateful for the input from the entire community.

Page xiii Cite
Suggested Citation:"Front Matter." National Academies of Sciences, Engineering, and Medicine. 2023. NSF Efforts to Achieve the Nation's Vision for the Materials Genome Initiative: Designing Materials to Revolutionize and Engineer Our Future (DMREF). Washington, DC: The National Academies Press. doi: 10.17226/26723.
×

Preface

This report is the final product of an approximately 18-month study by the Committee on Advising NSF on Its Efforts to Achieve the Nation’s Vision for the Materials Genome Initiative (MGI), a group of 19 experts under the auspices of the National Academies of Sciences, Engineering, and Medicine. The committee’s charge was to evaluate the goals, progress, and scientific accomplishments of the National Science Foundation’s (NSF’s) program on Designing Materials to Revolutionize and Engineer Our Future (DMREF) within the United States and abroad.

The DMREF program represents NSF’s role in the MGI, and it has focused on accelerating materials discovery and development through the establishment of the fundamental knowledge base needed to design and make a material with a specific and desired function or property from first principles. DMREF considers the integration of computation, experiments, and data as its core principle. In particular, emphasis is placed on feedback loops among these elements, in which theory guides computational simulation, computational simulation guides experiments, and experiments guide theory. The MGI’s goals to enhance health and human welfare and improve national security, among others, are in alignment with those at NSF, which are to be accomplished by supporting fundamental science and engineering.

During the course of this study, the committee met more than 60 times, all virtually, often with national and international representatives from academia and industry. For a list of information-gathering sessions, see Appendix C. In addition to its virtual meetings, the committee solicited input from relevant communities

Suggested Citation:"Front Matter." National Academies of Sciences, Engineering, and Medicine. 2023. NSF Efforts to Achieve the Nation's Vision for the Materials Genome Initiative: Designing Materials to Revolutionize and Engineer Our Future (DMREF). Washington, DC: The National Academies Press. doi: 10.17226/26723.
×

in the form of small, focused groups that met primarily by video or teleconference. High-level, strategic recommendations are presented in this report, aligning DMREF to take full advantage of existing and future opportunities to accelerate the progression of materials research from fundamentals to deployment.

This report begins with an overview of the evolution of the MGI, which then leads to an assessment of the first 10 years of DMREF. The cultural shift in materials research and practice is palpable, and future growth of the MGI-DMREF partnership is integral to reaching the ultimate goal of deploying new materials that meet societal needs and national priorities. The current state of materials research, which has been driven by this partnership, is examined next. While much has been accomplished, gaps that remain to be filled going forward are described. The committee spoke with graduate and postdoctoral students to assess their awareness of the MGI-DMREF partnership and to elicit feedback on improvements that might be considered as DMREF matures. There are many international MGI-like efforts, and the committee spoke with the leaders of many of these programs. Finally, the committee considered its findings and recommendations in the context of the potential evolution of DMREF in the future.

As mentioned above, this study was conducted over a relatively short time frame and in an entirely virtual format. We thank the study committee members for dedicating their remarkable technical expertise and experience to the task that was assigned to them, and for their efforts to take full advantage of the opportunities offered by the all-virtual meeting framework while overcoming its limitations. The committee is also grateful to the many people and organizations that have provided the information needed to compile this report.

The committee thanks the director of the National Materials and Manufacturing Board, Michelle Schwalbe, and the study director, Erik Svedberg, for their help and guidance in performing this study. We also express special appreciation to staff members Joe Palmer, Amisha Jinandra, and Neeraj Gorkhaly for assistance with virtual meeting arrangements and all of the daily tasks.

Ron Latanision, Co-Chair
Karin Rabe, Co-Chair
Committee on Advising NSF on Its Efforts to Achieve the Nation’s Vision for the Materials Genome Initiative

Suggested Citation:"Front Matter." National Academies of Sciences, Engineering, and Medicine. 2023. NSF Efforts to Achieve the Nation's Vision for the Materials Genome Initiative: Designing Materials to Revolutionize and Engineer Our Future (DMREF). Washington, DC: The National Academies Press. doi: 10.17226/26723.
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Suggested Citation:"Front Matter." National Academies of Sciences, Engineering, and Medicine. 2023. NSF Efforts to Achieve the Nation's Vision for the Materials Genome Initiative: Designing Materials to Revolutionize and Engineer Our Future (DMREF). Washington, DC: The National Academies Press. doi: 10.17226/26723.
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Suggested Citation:"Front Matter." National Academies of Sciences, Engineering, and Medicine. 2023. NSF Efforts to Achieve the Nation's Vision for the Materials Genome Initiative: Designing Materials to Revolutionize and Engineer Our Future (DMREF). Washington, DC: The National Academies Press. doi: 10.17226/26723.
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Suggested Citation:"Front Matter." National Academies of Sciences, Engineering, and Medicine. 2023. NSF Efforts to Achieve the Nation's Vision for the Materials Genome Initiative: Designing Materials to Revolutionize and Engineer Our Future (DMREF). Washington, DC: The National Academies Press. doi: 10.17226/26723.
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Suggested Citation:"Front Matter." National Academies of Sciences, Engineering, and Medicine. 2023. NSF Efforts to Achieve the Nation's Vision for the Materials Genome Initiative: Designing Materials to Revolutionize and Engineer Our Future (DMREF). Washington, DC: The National Academies Press. doi: 10.17226/26723.
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Suggested Citation:"Front Matter." National Academies of Sciences, Engineering, and Medicine. 2023. NSF Efforts to Achieve the Nation's Vision for the Materials Genome Initiative: Designing Materials to Revolutionize and Engineer Our Future (DMREF). Washington, DC: The National Academies Press. doi: 10.17226/26723.
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Suggested Citation:"Front Matter." National Academies of Sciences, Engineering, and Medicine. 2023. NSF Efforts to Achieve the Nation's Vision for the Materials Genome Initiative: Designing Materials to Revolutionize and Engineer Our Future (DMREF). Washington, DC: The National Academies Press. doi: 10.17226/26723.
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Suggested Citation:"Front Matter." National Academies of Sciences, Engineering, and Medicine. 2023. NSF Efforts to Achieve the Nation's Vision for the Materials Genome Initiative: Designing Materials to Revolutionize and Engineer Our Future (DMREF). Washington, DC: The National Academies Press. doi: 10.17226/26723.
×
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Suggested Citation:"Front Matter." National Academies of Sciences, Engineering, and Medicine. 2023. NSF Efforts to Achieve the Nation's Vision for the Materials Genome Initiative: Designing Materials to Revolutionize and Engineer Our Future (DMREF). Washington, DC: The National Academies Press. doi: 10.17226/26723.
×
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Suggested Citation:"Front Matter." National Academies of Sciences, Engineering, and Medicine. 2023. NSF Efforts to Achieve the Nation's Vision for the Materials Genome Initiative: Designing Materials to Revolutionize and Engineer Our Future (DMREF). Washington, DC: The National Academies Press. doi: 10.17226/26723.
×
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Suggested Citation:"Front Matter." National Academies of Sciences, Engineering, and Medicine. 2023. NSF Efforts to Achieve the Nation's Vision for the Materials Genome Initiative: Designing Materials to Revolutionize and Engineer Our Future (DMREF). Washington, DC: The National Academies Press. doi: 10.17226/26723.
×
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Suggested Citation:"Front Matter." National Academies of Sciences, Engineering, and Medicine. 2023. NSF Efforts to Achieve the Nation's Vision for the Materials Genome Initiative: Designing Materials to Revolutionize and Engineer Our Future (DMREF). Washington, DC: The National Academies Press. doi: 10.17226/26723.
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Page xiii Cite
Suggested Citation:"Front Matter." National Academies of Sciences, Engineering, and Medicine. 2023. NSF Efforts to Achieve the Nation's Vision for the Materials Genome Initiative: Designing Materials to Revolutionize and Engineer Our Future (DMREF). Washington, DC: The National Academies Press. doi: 10.17226/26723.
×
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Suggested Citation:"Front Matter." National Academies of Sciences, Engineering, and Medicine. 2023. NSF Efforts to Achieve the Nation's Vision for the Materials Genome Initiative: Designing Materials to Revolutionize and Engineer Our Future (DMREF). Washington, DC: The National Academies Press. doi: 10.17226/26723.
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The Materials Genome Initiative (MGI) was launched in 2011 by the White House Office of Science and Technology Policy to help accelerate the design, discovery, development and deployment of advanced materials and to reduce costs through the integration of advanced computation and data management with experimental synthesis and characterization. A broad range of federal agencies - including the National Science Foundation (NSF), the Department of Energy, and the Department of Defense - are part of the MGI effort and have invested more than $1 billion in resources and infrastructure accumulative since the start.

The efforts of NSF have been focused largely within the Designing Materials to Revolutionize and Engineer Our Future (DMREF) program, which supports the development of fundamental science, computational and experimental tools for generating and managing data, and workforce that enable industry and other government agencies to develop and deploy materials that meet societal needs and national priorities. At the request of NSF, this report evaluates the goals, progress, and scientific accomplishments of the DMREF program within the context of similar efforts both within the United States and abroad. The recommendations of this report will assist NSF as it continues to increase its engagement with industry and federal agencies to transition the results from fundamental science efforts to reach the MGI goal of deploying advanced materials at least twice as fast as possible today, at a fraction of the cost that meet national priorities.

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