Efficient autoencoder pipeline for discovering high entropy alloys with molecular dynamics data
In this work, we utilize computationally efficient molecular dynamics simulations to create a machine learning pipeline for discovery of crystalline multi-component alloys. We employ high-quality interatomic potentials to create a dataset of NiFeCr structures and apply crystal diffusion variational...
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| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
IOP Publishing
2025-01-01
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| Series: | Machine Learning: Science and Technology |
| Subjects: | |
| Online Access: | https://doi.org/10.1088/2632-2153/addf0f |
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