Optimized multifidelity machine learning for quantum chemistry
Machine learning (ML) provides access to fast and accurate quantum chemistry (QC) calculations for various properties of interest such as excitation energies. It is often the case that high accuracy in prediction using a ML model, demands a large and costly training set. Various solutions and proced...
Tallennettuna:
| Päätekijät: | , , |
|---|---|
| Aineistotyyppi: | Artigo |
| Kieli: | Inglês |
| Julkaistu: |
IOP Publishing
2024-01-01
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| Sarja: | Machine Learning: Science and Technology |
| Aiheet: | |
| Linkit: | https://doi.org/10.1088/2632-2153/ad2cef |
| Tagit: |
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