Machine Learning Potential Model Based on Ensemble Bispectrum Feature Selection and Its Applicability Analysis
With the continuous improvement of machine learning methods, building the interatomic machine learning potential (MLP) based on the datasets from quantum mechanics calculations has become an effective technical approach to improving the accuracy of classical molecular dynamics simulation. The Spectr...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2023-01-01
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| Series: | Metals |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2075-4701/13/1/169 |