Bias free multiobjective active learning for materials design and discovery
Identifying optimal materials in multiobjective optimization problems represents a challenge for new materials design approaches. Here the authors develop an active-learning algorithm to optimize the Pareto-optimal solutions successfully applied to the in silico polymer design for a dispersant-based...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Publishing Group
2021-04-01
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| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-021-22437-0 |
| Summary: | Identifying optimal materials in multiobjective optimization problems represents a challenge for new materials design approaches. Here the authors develop an active-learning algorithm to optimize the Pareto-optimal solutions successfully applied to the in silico polymer design for a dispersant-based application. |
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| ISSN: | 2041-1723 |