SHYAM SUNDER SAINI; RITU SAINI. AI-Driven Quantum Simulations for Materials Discovery: A Graph Neural Network and Active Learning Framework to Accelerate DFT-based Screening. International Journal of Unified Research & Development (IJURD), [S. l.], v. 1, n. 1, p. 6–10, 2025. DOI: 10.5281/ijurd.v1i1.2. Disponível em: https://ijurd.com/index.php/ojs/article/view/2. Acesso em: 15 oct. 2025.