4 papers
34 Examples of LLM Applications in Materials Science and Chemistry: Towards Automation, Assistants, Agents, and Accelerated Scientific Discovery
Yoel Zimmermann, Adib Bazgir, Alexander Al-Feghali +32
Large Language Models (LLMs) are reshaping many aspects of materials science and chemistry research, enabling advances in molecular property prediction, materials design, scientifi…
Kernel Learning Assisted Synthesis Condition Exploration for Ternary Spinel
Yutong Liu, Mehrad Ansari, Robert Black +1
Machine learning and high-throughput experimentation have greatly accelerated the discovery of mixed metal oxide catalysts by leveraging their compositional flexibility. However, t…
Reflections from the 2024 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry
Yoel Zimmermann, Adib Bazgir, Zartashia Afzal +141
Here, we present the outcomes from the second Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry, which engaged participants across global hyb…
dZiner: Rational Inverse Design of Materials with AI Agents
Mehrad Ansari, Jeffrey Watchorn, Carla E. Brown +1
Recent breakthroughs in machine learning and artificial intelligence, fueled by scientific data, are revolutionizing the discovery of new materials. Despite the wealth of existing…