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cs.AI2025
Quantum-Aware Generative AI for Materials Discovery: A Framework for Robust Exploration Beyond DFT Biases
Mahule Roy
Conventional generative models for materials discovery are predominantly trained and validated using data from Density Functional Theory (DFT) with approximate exchange-correlation…
physics.comp-ph2025
Exploring the Expertise of Large Language Models in Materials Science and Metallurgical Engineering
Christophe Bajan, Guillaume Lambard
The integration of artificial intelligence into various domains is rapidly increasing, with Large Language Models (LLMs) becoming more prevalent in numerous applications. This work…