32 examples of LLM applications in materials science and chemistry: towards automation, assistants, agents, and accelerated scientific discovery.

Wed, 01 Jan 2025 00:00:00 +0100

Yoel Zimmermann , Adib Bazgir, Alexander Al-Feghali , Mehrad Ansari , Joshua D. Bocarsly , L. Catherine Brinson , Yuan Chiang , Defne Circi, Min-Hsueh Chiu, Nathan Daelman , Matthew L. Evans , Abhijeet Sadashiv Gangan, Janine George, Hassan Harb, Ghazal Khalighinejad, Sartaaj Khan, Sascha Klawohn, Magdalena Lederbauer, Soroush Mahjoubi, Bernadette Mohr, Seyed Mohamad Moosavi, Aakash Naik , Aleyna Beste Ozhan, Dieter Plessers , Aritra Roy , Fabian Schöppach, Philippe Schwaller, Carla Terboven, Katharina Ueltzen, Yue Wu, Shang Zhu, Jan Janssen, Calvin Li, Ian T. Foster, Ben Blaiszik:
32 examples of LLM applications in materials science and chemistry: towards automation, assistants, agents, and accelerated scientific discovery. Mach. Learn. Sci. Technol. 6(2): 30701 (2025)