Please use this identifier to cite or link to this item: http://archive.cmb.ac.lk:8080/xmlui/handle/70130/6918
Title: MaterialsAtlas.org: a materials informatics web app platform for materials discovery and survey of state-of-the-art
Authors: Hu, Jianjun
Stefanov, Stanislav
Song, Yuqi
Omee, Sadman Sadeed
Louis, Steph-Yves
Siriwardane, Edirisuriya M. Dilanga
Zhao, Yong
Wei, Lai
Keywords: Machine Learning
Deep Learning
Materials Science
Materials Informatics
Issue Date: 2022
Publisher: NPJ Computational Materials
Citation: Hu, J., Stefanov, S., Song, Y., Omee, S. S., Louis, S.-Y., Siriwardane, E. M., Zhao, Y., & Wei, L. (2022). Materialsatlas.org: A materials informatics web app platform for materials discovery and survey of state-of-the-art. Npj Computational Materials, 8(1). https://doi.org/10.1038/s41524-022-00750-6
Abstract: The availability and easy access of large-scale experimental and computational materials data have enabled the emergence of accelerated development of algorithms and models for materials property prediction, structure prediction, and generative design of materials. However, the lack of user-friendly materials informatics web servers has severely constrained the wide adoption of such tools in the daily practice of materials screening, tinkering, and design space exploration by materials scientists. Herein we first survey current materials informatics web apps and then propose and develop MaterialsAtlas.org, a web-based materials informatics toolbox for materials discovery, which includes a variety of routinely needed tools for exploratory materials discovery, including material’s composition and structure validity check (e.g. charge neutrality, electronegativity balance, dynamic stability, Pauling rules), materials property prediction (e.g. band gap, elastic moduli, hardness, and thermal conductivity), search for hypothetical materials, and utility tools. These user-friendly tools can be freely accessed at http://www.materialsatlas.org. We argue that such materials informatics apps should be widely developed by the community to speed up materials discovery processes.
Description: The views, perspectives, and content do not necessarily represent the official views of the NSF. We appreciate the help from Xerrak Agha, Daniel Varivoda, Sourin Dey for proofreading.
URI: http://archive.cmb.ac.lk:8080/xmlui/handle/70130/6918
Appears in Collections:Department of Physics

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