Efficient GPU-accelerated training of a neuroevolution potential with analytical gradients

作者：Hongfu Huang, Junhao Peng, K.K. Li, Jian Zhou, Zhimei Sun · 发表于：Computer Physics Communications · 年份：2025 · DOI：10.1016/j.cpc.2025.109994 · 被引用次数：3 · 研究领域：Machine Learning in Materials Science、Quantum many-body systems、Model Reduction and Neural Networks