A Heterogeneous Parallel Non-von Neumann Architecture System for Accurate and Efficient Machine Learning Molecular Dynamics

no code implementations • 26 Mar 2023 • Zhuoying Zhao, Ziling Tan, Pinghui Mo, Xiaonan Wang, Dan Zhao, Xin Zhang, Ming Tao, Jie Liu

This paper proposes a special-purpose system to achieve high-accuracy and high-efficiency machine learning (ML) molecular dynamics (MD) calculations.

Atomic Forces