collaborators

1 paper

cond-mat.mtrl-sci2024

Deep Learning Interatomic Potential Connects Molecular Structural Ordering to Macroscale Properties of Polyacrylonitrile (PAN) Polymer

Rajni Chahal, Michael D. Toomey, Logan T. Kearney +4

Polyacrylonitrile (PAN) is an important commercial polymer, bearing atactic stereochemistry resulting from nonselective radical polymerization. As such, an accurate, fundamental un…