A transfer learning framework integrating molecular dynamics and group contribution methods for predicting polymer specific heat capacity
Abstract
A multi-fidelity transfer learning framework integrates group contribution, molecular dynamics, and experimental data to enable accurate and scalable prediction of polymer specific heat capacities.
Fields of Study & Subjects
Thermal properties of materials
Machine Learning in Materials Science
Advanced Physical and Chemical Molecular Interactions
Publication details
- Journal / source
- Polymer Chemistry
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 17
- Issue
- 10
- Pages
- 1028–1051
- Publication date
- 1 January 2026
- Language
- EN