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| Main Author: | |
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| Format: | Preprint |
| Published: |
2024
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2410.06354 |
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Table of Contents:
- The Gaussian approximation potential (GAP) machine-learning-inspired functional form was the first to be used for a general-purpose interatomic potential. The atomic cluster expansion (ACE), previously the subject of a KIM Review, and its multilayer neural-network extension (MACE) have joined GAP among the methods widely used for machine-learning interatomic potentials. Here I review extensions to the original GAP formalism, as well as ACE and MACE-based frameworks that maintain the good features and mitigate the limitations of the original GAP approach.