CSE - AI for Polymer Material Discovery

The primary goal of this project is to accelerate the discovery and design of novel polymer materials using artificial intelligence (AI) and machine learning (ML) techniques. By integrating computational tools with experimental data, the project aims to predict the properties of polymer systems and guide the synthesis of materials with desired mechanical, thermal, or electrical properties. Student will train and test machine learning models (e.g., neural networks, random forests, graph neural networks) to predict polymer properties from molecular structure or processing conditions. Student will also implement generative models to design polymers with target properties. All students will gain hands-on experience with real-world datasets, programming (Python), simulation software (e.g., LAMMPS), and AI techniques, fostering interdisciplinary skills at the intersection of materials science, data science, and engineering.