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Title: Benchmarking the acceleration of materials discovery by sequential learning

Abstract

Benchmarking metrics for materials discovery via sequential learning are presented, to assess the efficacy of existing algorithms and to be scientific in our assessment of accelerated science.

Authors:
 [1]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [3]
  1. Accelerated Materials Design and Discovery, Toyota Research Institute, Los Altos, USA
  2. Joint Center for Artificial Photosynthesis, California Institute of Technology, Pasadena, USA
  3. Joint Center for Artificial Photosynthesis, California Institute of Technology, Pasadena, USA, Division of Engineering and Applied Science
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1598712
Grant/Contract Number:  
SC0004993; SC0020383
Resource Type:
Published Article
Journal Name:
Chemical Science
Additional Journal Information:
Journal Name: Chemical Science; Journal ID: ISSN 2041-6520
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Rohr, Brian, Stein, Helge S., Guevarra, Dan, Wang, Yu, Haber, Joel A., Aykol, Muratahan, Suram, Santosh K., and Gregoire, John M. Benchmarking the acceleration of materials discovery by sequential learning. United Kingdom: N. p., 2020. Web. doi:10.1039/C9SC05999G.
Rohr, Brian, Stein, Helge S., Guevarra, Dan, Wang, Yu, Haber, Joel A., Aykol, Muratahan, Suram, Santosh K., & Gregoire, John M. Benchmarking the acceleration of materials discovery by sequential learning. United Kingdom. doi:10.1039/C9SC05999G.
Rohr, Brian, Stein, Helge S., Guevarra, Dan, Wang, Yu, Haber, Joel A., Aykol, Muratahan, Suram, Santosh K., and Gregoire, John M. Wed . "Benchmarking the acceleration of materials discovery by sequential learning". United Kingdom. doi:10.1039/C9SC05999G.
@article{osti_1598712,
title = {Benchmarking the acceleration of materials discovery by sequential learning},
author = {Rohr, Brian and Stein, Helge S. and Guevarra, Dan and Wang, Yu and Haber, Joel A. and Aykol, Muratahan and Suram, Santosh K. and Gregoire, John M.},
abstractNote = {Benchmarking metrics for materials discovery via sequential learning are presented, to assess the efficacy of existing algorithms and to be scientific in our assessment of accelerated science.},
doi = {10.1039/C9SC05999G},
journal = {Chemical Science},
number = ,
volume = ,
place = {United Kingdom},
year = {2020},
month = {1}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1039/C9SC05999G

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