Artificial intelligence in computational materials science
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 coll...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Springer International Publishing
2022
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| Online Access: | https://hdl.handle.net/1721.1/146415 |
| _version_ | 1826194859864621056 |
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| author | Kulik, Heather J. Tiwary, Pratyush |
| author2 | Massachusetts Institute of Technology. Department of Chemical Engineering |
| author_facet | Massachusetts Institute of Technology. Department of Chemical Engineering Kulik, Heather J. Tiwary, Pratyush |
| author_sort | Kulik, Heather J. |
| collection | MIT |
| description | 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.
Graphical abstract |
| first_indexed | 2024-09-23T10:03:18Z |
| format | Article |
| id | mit-1721.1/146415 |
| institution | Massachusetts Institute of Technology |
| language | English |
| last_indexed | 2024-09-23T10:03:18Z |
| publishDate | 2022 |
| publisher | Springer International Publishing |
| record_format | dspace |
| spelling | mit-1721.1/1464152023-11-09T04:52:20Z Artificial intelligence in computational materials science Kulik, Heather J. Tiwary, Pratyush Massachusetts Institute of Technology. Department of Chemical Engineering 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. Graphical abstract 2022-11-15T12:59:06Z 2022-11-15T12:59:06Z 2022-11-02 2022-11-15T04:19:45Z Article http://purl.org/eprint/type/JournalArticle https://hdl.handle.net/1721.1/146415 Kulik, Heather J. and Tiwary, Pratyush. 2022. "Artificial intelligence in computational materials science." en https://doi.org/10.1557/s43577-022-00431-1 Creative Commons Attribution-Noncommercial-Share Alike http://creativecommons.org/licenses/by-nc-sa/4.0/ The Author(s), under exclusive License to the Materials Research Society application/pdf Springer International Publishing Springer International Publishing |
| spellingShingle | Kulik, Heather J. Tiwary, Pratyush Artificial intelligence in computational materials science |
| title | Artificial intelligence in computational materials science |
| title_full | Artificial intelligence in computational materials science |
| title_fullStr | Artificial intelligence in computational materials science |
| title_full_unstemmed | Artificial intelligence in computational materials science |
| title_short | Artificial intelligence in computational materials science |
| title_sort | artificial intelligence in computational materials science |
| url | https://hdl.handle.net/1721.1/146415 |
| work_keys_str_mv | AT kulikheatherj artificialintelligenceincomputationalmaterialsscience AT tiwarypratyush artificialintelligenceincomputationalmaterialsscience |