Michael Pekala
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2026
Coupling Language Models with Physics-based Simulation for Synthesis of Inorganic Materials
The paper proposes a novel hybrid framework that couples Large Language Models (LLMs) with simplified physics-based simulations to improve the synthesis planning of novel inorganic crystalline materials.
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cs.AIcond-mat.mtrl-sciRecentMay 29, 2026
Coupling Language Models with Physics-based Simulation for Synthesis of Inorganic Materials
Edward W. Staley, Tom Arbaugh, Michael Pekala, Alexander New +5 more
The paper proposes a novel hybrid framework that couples Large Language Models (LLMs) with simplified physics-based simulations to improve the synthesis planning of novel inorganic crystalline materia…
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