Multiscale prediction of polymer relaxation dynamics via computational and data-driven methods
Abstract
We present a multiscale modeling approach that integrates molecular dynamics simulations, machine learning, and the Elastically Collective Nonlinear Langevin Equation theory to investigate the glass transition dynamics of polymer systems.
Fields of Study & Subjects
Machine Learning in Materials Science
Material Dynamics and Properties
Block Copolymer Self-Assembly
Publication details
- Journal / source
- Materials Advances
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 7
- Issue
- 5
- Pages
- 2629–2640
- Publication date
- 1 January 2026
- Language
- EN