RESEARCH PAPER · Machine Learning Science and Technology · 2025
32 examples of LLM applications in materials science and chemistry: towards automation, assistants, agents, and accelerated scientific discovery
Yoel Zimmermann, Adib Bazgir, Alexander Al‐Feghali, Mehrad Ansari, Joshua D. Bocarsly, L. Catherine Brinson, Yuan Chiang, Defne Çırcı, Min–Hsueh Chiu, Nathan Daelman, Matthew L. Evans, Abhijeet Gangan, Janine George, Hassan Harb, Ghazal Khalighinejad, Sartaaj Takrim Khan, Sascha Klawohn, Magdalena Lederbauer, Soroush Mahjoubi, Bernadette Mohr, Seyed Mohamad Moosavi, Aakash Ashok Naik, Aleyna Beste Ozhan, Dieter Plessers, Aritra Roy, Fabian Schoeppach, Philippe Schwaller, Carla Terboven, Katharina Ueltzen, Yue Wu, Shang Zhu, Jan Janssen, Calvin Li, Ian T Foster, Ben J. Blaiszik
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