New frontiers for the materials genome initiative

Juan J. de Pablo; Nicholas E. Jackson; Michael A. Webb; Long Qing Chen; Joel E. Moore; Dane Morgan; Ryan Jacobs; Tresa Pollock; Darrell G. Schlom; Eric S. Toberer; James Analytis; Ismaila Dabo; Dean M. DeLongchamp; Gregory A. Fiete; Gregory M. Grason; Geoffroy Hautier; Yifei Mo; Krishna Rajan; Evan J. Reed; Efrain Rodriguez; Vladan Stevanovic; Jin Suntivich; Katsuyo Thornton; Ji Cheng Zhao

doi:10.1038/s41524-019-0173-4

New frontiers for the materials genome initiative

Juan J. de Pablo
, Nicholas E. Jackson
, Michael A. Webb
, Long Qing Chen
, Joel E. Moore
, Dane Morgan
, Ryan Jacobs
, Tresa Pollock
, Darrell G. Schlom
, Eric S. Toberer
, James Analytis
, Ismaila Dabo
, Dean M. DeLongchamp
, Gregory A. Fiete
, Gregory M. Grason
, Geoffroy Hautier
, Yifei Mo
, Krishna Rajan
, Evan J. Reed
, Efrain Rodriguez

Vladan Stevanovic, Jin Suntivich, Katsuyo Thornton, Ji Cheng Zhao

Department of Materials Design and Innovation

The University of Chicago
Pennsylvania State University
University of California at Berkeley
University of Wisconsin-Madison
University of California at Santa Barbara
Cornell University
Colorado School of Mines
National Institute of Standards and Technology
University of Texas at Austin
University of Massachusetts
Université catholique de Louvain
University of Maryland, College Park
Stanford University
University of Michigan, Ann Arbor
Ohio State University

Research output: Contribution to journal › Review article › peer-review

506 Scopus citations

Abstract

The Materials Genome Initiative (MGI) advanced a new paradigm for materials discovery and design, namely that the pace of new materials deployment could be accelerated through complementary efforts in theory, computation, and experiment. Along with numerous successes, new challenges are inviting researchers to refocus the efforts and approaches that were originally inspired by the MGI. In May 2017, the National Science Foundation sponsored the workshop “Advancing and Accelerating Materials Innovation Through the Synergistic Interaction among Computation, Experiment, and Theory: Opening New Frontiers” to review accomplishments that emerged from investments in science and infrastructure under the MGI, identify scientific opportunities in this new environment, examine how to effectively utilize new materials innovation infrastructure, and discuss challenges in achieving accelerated materials research through the seamless integration of experiment, computation, and theory. This article summarizes key findings from the workshop and provides perspectives that aim to guide the direction of future materials research and its translation into societal impacts.

Original language	English
Article number	41
Journal	npj Computational Materials
Volume	5
Issue number	1
DOIs	https://doi.org/10.1038/s41524-019-0173-4
State	Published - Dec 1 2019

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de Pablo, J. J., Jackson, N. E., Webb, M. A., Chen, L. Q., Moore, J. E., Morgan, D., Jacobs, R., Pollock, T., Schlom, D. G., Toberer, E. S., Analytis, J., Dabo, I., DeLongchamp, D. M., Fiete, G. A., Grason, G. M., Hautier, G., Mo, Y., Rajan, K., Reed, E. J., ... Zhao, J. C. (2019). New frontiers for the materials genome initiative. npj Computational Materials, 5(1), Article 41. https://doi.org/10.1038/s41524-019-0173-4

@article{0bc11b2007ab4c289d78801721e61860,

title = "New frontiers for the materials genome initiative",

abstract = "The Materials Genome Initiative (MGI) advanced a new paradigm for materials discovery and design, namely that the pace of new materials deployment could be accelerated through complementary efforts in theory, computation, and experiment. Along with numerous successes, new challenges are inviting researchers to refocus the efforts and approaches that were originally inspired by the MGI. In May 2017, the National Science Foundation sponsored the workshop {\textquotedblleft}Advancing and Accelerating Materials Innovation Through the Synergistic Interaction among Computation, Experiment, and Theory: Opening New Frontiers{\textquotedblright} to review accomplishments that emerged from investments in science and infrastructure under the MGI, identify scientific opportunities in this new environment, examine how to effectively utilize new materials innovation infrastructure, and discuss challenges in achieving accelerated materials research through the seamless integration of experiment, computation, and theory. This article summarizes key findings from the workshop and provides perspectives that aim to guide the direction of future materials research and its translation into societal impacts.",

author = "\{de Pablo\}, \{Juan J.\} and Jackson, \{Nicholas E.\} and Webb, \{Michael A.\} and Chen, \{Long Qing\} and Moore, \{Joel E.\} and Dane Morgan and Ryan Jacobs and Tresa Pollock and Schlom, \{Darrell G.\} and Toberer, \{Eric S.\} and James Analytis and Ismaila Dabo and DeLongchamp, \{Dean M.\} and Fiete, \{Gregory A.\} and Grason, \{Gregory M.\} and Geoffroy Hautier and Yifei Mo and Krishna Rajan and Reed, \{Evan J.\} and Efrain Rodriguez and Vladan Stevanovic and Jin Suntivich and Katsuyo Thornton and Zhao, \{Ji Cheng\}",

note = "Publisher Copyright: {\textcopyright} 2019, The Author(s).",

year = "2019",

month = dec,

day = "1",

doi = "10.1038/s41524-019-0173-4",

language = "English",

volume = "5",

journal = "npj Computational Materials",

issn = "2057-3960",

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de Pablo, JJ, Jackson, NE, Webb, MA, Chen, LQ, Moore, JE, Morgan, D, Jacobs, R, Pollock, T, Schlom, DG, Toberer, ES, Analytis, J, Dabo, I, DeLongchamp, DM, Fiete, GA, Grason, GM, Hautier, G, Mo, Y, Rajan, K, Reed, EJ, Rodriguez, E, Stevanovic, V, Suntivich, J, Thornton, K & Zhao, JC 2019, 'New frontiers for the materials genome initiative', npj Computational Materials, vol. 5, no. 1, 41. https://doi.org/10.1038/s41524-019-0173-4

TY - JOUR

T1 - New frontiers for the materials genome initiative

AU - de Pablo, Juan J.

AU - Jackson, Nicholas E.

AU - Webb, Michael A.

AU - Chen, Long Qing

AU - Moore, Joel E.

AU - Morgan, Dane

AU - Jacobs, Ryan

AU - Pollock, Tresa

AU - Schlom, Darrell G.

AU - Toberer, Eric S.

AU - Analytis, James

AU - Dabo, Ismaila

AU - DeLongchamp, Dean M.

AU - Fiete, Gregory A.

AU - Grason, Gregory M.

AU - Hautier, Geoffroy

AU - Mo, Yifei

AU - Rajan, Krishna

AU - Reed, Evan J.

AU - Rodriguez, Efrain

AU - Stevanovic, Vladan

AU - Suntivich, Jin

AU - Thornton, Katsuyo

AU - Zhao, Ji Cheng

PY - 2019/12/1

Y1 - 2019/12/1

N2 - The Materials Genome Initiative (MGI) advanced a new paradigm for materials discovery and design, namely that the pace of new materials deployment could be accelerated through complementary efforts in theory, computation, and experiment. Along with numerous successes, new challenges are inviting researchers to refocus the efforts and approaches that were originally inspired by the MGI. In May 2017, the National Science Foundation sponsored the workshop “Advancing and Accelerating Materials Innovation Through the Synergistic Interaction among Computation, Experiment, and Theory: Opening New Frontiers” to review accomplishments that emerged from investments in science and infrastructure under the MGI, identify scientific opportunities in this new environment, examine how to effectively utilize new materials innovation infrastructure, and discuss challenges in achieving accelerated materials research through the seamless integration of experiment, computation, and theory. This article summarizes key findings from the workshop and provides perspectives that aim to guide the direction of future materials research and its translation into societal impacts.

AB - The Materials Genome Initiative (MGI) advanced a new paradigm for materials discovery and design, namely that the pace of new materials deployment could be accelerated through complementary efforts in theory, computation, and experiment. Along with numerous successes, new challenges are inviting researchers to refocus the efforts and approaches that were originally inspired by the MGI. In May 2017, the National Science Foundation sponsored the workshop “Advancing and Accelerating Materials Innovation Through the Synergistic Interaction among Computation, Experiment, and Theory: Opening New Frontiers” to review accomplishments that emerged from investments in science and infrastructure under the MGI, identify scientific opportunities in this new environment, examine how to effectively utilize new materials innovation infrastructure, and discuss challenges in achieving accelerated materials research through the seamless integration of experiment, computation, and theory. This article summarizes key findings from the workshop and provides perspectives that aim to guide the direction of future materials research and its translation into societal impacts.

UR - https://www.scopus.com/pages/publications/85064056781

U2 - 10.1038/s41524-019-0173-4

DO - 10.1038/s41524-019-0173-4

M3 - Review article

AN - SCOPUS:85064056781

SN - 2057-3960

VL - 5

JO - npj Computational Materials

JF - npj Computational Materials

IS - 1

M1 - 41

ER -

New frontiers for the materials genome initiative

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