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Updated: Jul 6, 2025

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在原子模拟中,使用基于3D CNN的训练人工神经网络的力量,快速准确地预测完美和缺陷的材料特性

Iman Peivaste1,2, Saba Ramezani1, Ghasem Alahyarizadeh3

  • 1Faculty of Engineering, Shahid Beheshti University, Tehran, Iran.

Scientific reports
|January 3, 2024
PubMed
概括

机器学习 (ML) 通过使用训练有素的人工神经网络 (tANN) 作为分子动力学 (MD) 模拟的替代模型来加速材料科学. 这种方法显著加快了对材料属性的准确预测.

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