Quantum-Aware Generative AI for Materials Discovery: A Framework for Robust Exploration Beyond DFT Biases. - Mahule Roy; Guillaume Lambard (CoRR, 2025)

Autonomous Multi-Agent AI for High-Throughput Polymer Informatics: From Property Prediction to Generative Design Across Synthetic and Bio-Polymers. - Mahule Roy; Adib Bazgir; Arthur da Silva Sousa Santos; Yuwen Zhang (CoRR, 2026)