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Title: Research Update: The materials genome initiative: Data sharing and the impact of collaborative ab initio databases

Abstract

Materials innovations enable new technological capabilities and drive major societal advancements but have historically required long and costly development cycles. The Materials Genome Initiative (MGI) aims to greatly reduce this time and cost. Here, we focus on data reuse in the MGI and, in particular, discuss the impact of three different computational databases based on density functional theory methods to the research community. Finally, we discuss and provide recommendations on technical aspects of data reuse, outline remaining fundamental challenges, and present an outlook on the future of MGI's vision of data sharing.

Authors:
 [1];  [2];  [2]
  1. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  2. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States). Dept. of Materials Science and Engineering
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1243149
Alternate Identifier(s):
OSTI ID: 1379309
Grant/Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Journal Article: Published Article
Journal Name:
APL Materials
Additional Journal Information:
Journal Volume: 4; Journal Issue: 5; Journal ID: ISSN 2166-532X
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Jain, Anubhav, Persson, Kristin A., and Ceder, Gerbrand. Research Update: The materials genome initiative: Data sharing and the impact of collaborative ab initio databases. United States: N. p., 2016. Web. doi:10.1063/1.4944683.
Jain, Anubhav, Persson, Kristin A., & Ceder, Gerbrand. Research Update: The materials genome initiative: Data sharing and the impact of collaborative ab initio databases. United States. doi:10.1063/1.4944683.
Jain, Anubhav, Persson, Kristin A., and Ceder, Gerbrand. Thu . "Research Update: The materials genome initiative: Data sharing and the impact of collaborative ab initio databases". United States. doi:10.1063/1.4944683.
@article{osti_1243149,
title = {Research Update: The materials genome initiative: Data sharing and the impact of collaborative ab initio databases},
author = {Jain, Anubhav and Persson, Kristin A. and Ceder, Gerbrand},
abstractNote = {Materials innovations enable new technological capabilities and drive major societal advancements but have historically required long and costly development cycles. The Materials Genome Initiative (MGI) aims to greatly reduce this time and cost. Here, we focus on data reuse in the MGI and, in particular, discuss the impact of three different computational databases based on density functional theory methods to the research community. Finally, we discuss and provide recommendations on technical aspects of data reuse, outline remaining fundamental challenges, and present an outlook on the future of MGI's vision of data sharing.},
doi = {10.1063/1.4944683},
journal = {APL Materials},
number = 5,
volume = 4,
place = {United States},
year = {Thu Mar 24 00:00:00 EDT 2016},
month = {Thu Mar 24 00:00:00 EDT 2016}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1063/1.4944683

Citation Metrics:
Cited by: 14 works
Citation information provided by
Web of Science

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Works referenced in this record:

Phospho-olivines as Positive-Electrode Materials for Rechargeable Lithium Batteries
journal, April 1997

  • Padhi, A. K.
  • Journal of The Electrochemical Society, Vol. 144, Issue 4, p. 1188-1194
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996