Efficient autonomous material search method combining ab initio calculations, autoencoder, and multi-objective Bayesian optimization
Autonomous material search systems that combine ab initio calculations and Bayesian optimization are very promising for exploring huge material spaces. Setting up an appropriate material search space is necessary for efficient autonomous material search. However, performing the autonomous search wit...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Taylor & Francis Group
2022-12-01
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| Series: | Science and Technology of Advanced Materials: Methods |
| Subjects: | |
| Online Access: | http://dx.doi.org/10.1080/27660400.2022.2123263 |