LLM-Assisted Generation of Transparent, Open-Source Multiphysics Models of Electrochemical Devices
Multiphysics continuum models are powerful tools for studying electrochemical devices, enabling in silico reactor design and resolution of local pH, potential, and concentration fields that govern device performance but are difficult to measure experimentally. However, constructing such models requires substantial numerical expertise or reliance on proprietary software. Here, we show that frontier large language model agents can remove this implementation burden while keeping the underlying physics under researcher control. Using one-dimensional electrochemical CO2 reduction to CO in a porous gas diffusion electrode as a test case, we develop a machine-readable, human-specified modeling h...
| Authors | Sebastian Castro, Maya F. Schuchert, Spencer A. McCluskey et al. |
|---|---|
| Primary category | physics.chem-ph |
| Published | 7 October 2026 |
| Last updated at source | 7 October 2026 |
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