Accelerated Materials Simulations with Deep Neural Networks

Fei Zhou | 22-ERD-016

Executive Summary

Large-scale molecular dynamic simulations are an essential and ubiquitous tool to accelerate the development and deployment of materials relevant to national security missions, but they are too slow and too computationally expensive to adequately meet next-generation mission needs. We will develop and apply machine-learning based models to accelerate large-scale simulations of the evolution of material microstructures and dislocation lines, offering dramatically faster simulation capabilities with unprecedented accuracy.

Publications, Presentations, and Patents

Fei Zhou. 2022. “Accelerate Microstructure Simulations with Machine Learning.” Presentation at Artificial Intelligence for Materials Science (AIMS) Conference hosted by NIST. Virtual. Gaithersburg, MD. July 2022.