High-Performance Computing in the Age of Machine Learning Interatomic Potentials: A Review of Optimization Strategies for Training and Inference

Si-Yu Hu; Er-Lin Yao; Guang-Ming Tan; Wei-Le Jia

doi:10.1007/s11390-026-6331-5

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Cite this Article (APA)

Si-Yu, H., Er-Lin, Y., Guang-Ming, T., Wei-Le, J. (2026). High-Performance Computing in the Age of Machine Learning Interatomic Potentials: A Review of Optimization Strategies for Training and Inference. Journal of Computer Science and Technology. https://doi.org/10.1007/s11390-026-6331-5

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