arrow
Return

The materials experiment knowledge graph

delete2023-01-01
delete8
delete
OA
AI
M
Michael J. Statt
B
Brian A. Rohr *
D
Dan Guevarra
J
Ja'Nya Breeden
S
Santosh K. Suram
J
John M. Gregoire *
DOI:10.1039/d3dd00067bdelete
deleteOriginal
deleteOriginal request for help
deleteShare
deleteSave
Abstract

Abstract

En 中文
Materials knowledge is inherently hierarchical. While high-level descriptors such as composition and structure are valuable for contextualizing materials data, the data must ultimately be considered in the context of its low-level acquisition details. Graph databases offer an opportunity to represent hierarchical relationships among data, organizing semantic relationships into a knowledge graph. Herein, we establish a knowledge graph of materials experiments whose construction encodes the complete provenance of each material sample and its associated experimental data and metadata. Additional relationships among materials and experiments further encode knowledge and facilitate data exploration. We illustrate the Materials Experiment Knowledge Graph (MekG) using several use cases, demonstrating the value of modern graph databases for the enterprise of data-driven materials science. Graph representations of hierarchical knowledge, including experiment provenances, will help usher in a new era of data-driven materials science.

Journal

Digital Discovery cover
Digital Discovery
IF:
5.6
Papers:
997
Citations:
1.7K

Organization

C
California Institute of Technology
Scholars:
2.9W
Papers: 2.5W
Citations: 4.9W
T
toyota motor corporation
Scholars:
1.3K
Papers: 1.3K
Citations: 2
U
united states department of energy (doe)
Scholars:
11.3W
Papers: 9.6W
Citations: 246
researcher View more organizations
Cited Papers

Cited Papers

Artificial intelligence for materials discovery
err2019-07-12
err67
PREAI
errGomes, Carla R.; Selman, Bart; Gregoire, John M.
errShare
errSave
Research data infrastructure for high-throughput experimental materials science
err2021-12-01
err27
errOAAI
errTalley, Kevin R.; White, Robert; Wunder, Nick; Eash, Matthew; Schwarting, Marcus; Evenson, Dave; Perkins, John D.; Tumas, William; Munch, Kristin; Phillips, Caleb; Zakutayev, Andriy
errShare
errSave
Depression and dry eye: a narrative review
err2021-03-01
err0
errOAAI
errGabriela César Falcão Vieira; Bruna Rachel de Oliveira Rodrigues; Carlos Eduardo Ximenes da Cunha; Gabriella Bento de Morais; Luiz Henrique Ribeiro de Moraes Ferreira; Marina Viegas Moura Rezende Ribeiro
errShare
errSave
propnet: A Knowledge Graph for Materials Science
errMATTER
IF17.5
err2020-02-01
err47
errOAAI
errMrdjenovich, David; Horton, Matthew K.; Montoya, Joseph H.; Legaspi, Christian M.; Dwaraknath, Shyam; Tshitoyan, Vahe; Jain, Anubhav; Persson, Kristin A.
errShare
errSave
Biotemplated Synthesis of Titanium Oxide Nanoparticles in the Presence of Root Extract of Kniphofia schemperi and Its Application for Dye Sensitized Solar Cells
err2021-02-19
err0
errOAAI
errEneyew Tilahun Bekele; Enyew Amare Zereffa; Noto Susanto Gultom; Dong-Hau Kuo; Bedasa Abdisa Gonfa; Fedlu Kedir Sabir
errShare
errSave
Materials Acceleration Platforms: On the way to autonomous experimentation
err2020-10-01
err97
errOAAI
errFlores-Leonar, Martha M.; Mejia-Mendoza, Luis M.; Aguilar-Granda, Andres; Sanchez-Lengeling, Benjamin; Tribukait, Hermann; Amador-Bedolla, Carlos; Aspuru-Guzik, Alan
errShare
errSave
Machine learning enabled autonomous microstructural characterization in 3D samples
err2020-01-06
err88
errOAAI
errChan, Henry; Cherukara, Mathew; Loeffler, Troy D.; Narayanan, Badri; Sankaranarayanan, Subramanian K. R. S.
errShare
errSave
researcher View more