Research overview
This research develops vector-based association models within the iSAFT framework to represent directional molecular interactions. The goal is to connect local bonding geometry with the structure and thermodynamic behavior predicted at larger scales.
Smeared vs. Tetrahedral Association
Research direction
Work in this area focuses on theory development, numerical implementation, and comparison with limiting cases and molecular simulations. Current results, figures, collaborators, and related publications can be added here as the project develops.