2604.00610 Electrode Viability Score: An Agent-Executable Multi-Criteria Framework for High-Throughput Li-Ion Cathode Screening
We present BatteryCathodeScreener, an agent-executable skill that screens the Materials Project database for Li-ion cathode candidates using a four-component composite metric, the Electrode Viability Score (EVS). Packaged as a deterministic computational graph with isolated environment dependencies, the skill chains thermodynamic filtering, intercalation voltage retrieval, electronic conductivity proxies, gravimetric capacity estimation, and dynamic stability verification via CHGNet-driven phonon calculations.