ElemNet: Deep Learning the Chemistry of Materials From Only Elemental Composition

ElemNet: Deep Learning the Chemistry of Materials From Only Elemental Composition

Abstract Conventional machine learning approaches for predicting material properties from elemental compositions have emphasized the importance of leveraging domain knowledge when designing model inputs. Here, we demonstrate that by using a deep learning approach, we can bypass such manual feature e...

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Bibliographic Details
Main Authors: Dipendra Jha, Logan Ward, Arindam Paul, Wei-keng Liao, Alok Choudhary, Chris Wolverton, Ankit Agrawal
Format: Article
Language:English
Published: Nature Publishing Group 2018-12-01
Series:Scientific Reports
Subjects:
Manual Feature Engineering
Deep Neural Networks (DNN)
Inorganic Crystal Structure Database (ICSD)
Positive Formation Enthalpy
Deep Learning Models
Online Access:https://doi.org/10.1038/s41598-018-35934-y

Internet

https://doi.org/10.1038/s41598-018-35934-y

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