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

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Si-Yu Hu, Er-Lin Yao, Guangming Tan, Wei-Le Jia. High-Performance Computing in the Age of Machine Learning Interatomic Potentials: A Review of Optimization Strategies for Training and Inference. J. Comput. Sci. Technol., 41(1):128-146, January 2026. [doi]

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