Artificial intelligence in computational materials science
Author(s)
Kulik, Heather J.; Tiwary, Pratyush
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Abstract
In this themed collection we aim to broadly review some of the critical, recent progress in the application of AI/ML to various aspects of computational materials science and materials science more broadly. In this collection spread across two issues, we have assembled a collection of articles from leaders in the broad domain of applying AI/ML, which we collectively refer to as ML, in computational materials science. Together these articles curate the critical, recent progress in the application of ML to various aspects of materials science. These include ML approaches for understanding and driving electron microscopy, designing energy materials and the discovery of principles and materials relevant to the design of materials for the future, studying crystal nucleation and growth, the use of ML to describe force fields governing material and molecular behavior, and other topics.
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Date issued
2022-11-02Department
Massachusetts Institute of Technology. Department of Chemical EngineeringPublisher
Springer International Publishing
Citation
Kulik, Heather J. and Tiwary, Pratyush. 2022. "Artificial intelligence in computational materials science."
Version: Author's final manuscript