Molecular design with automated quantum computing-based deep learning and optimization
Abstract Computer-aided design of novel molecules and compounds is a challenging task that can be addressed with quantum computing (QC) owing to its notable advances in optimization and machine learning. Here, we use QC-assisted learning and optimization techniques implemented with near-term QC devi...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2023-08-01
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| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-023-01099-0 |