fig3
Figure 3. A workflow for electrolyte additive design created by Agent. SMILES: Simplified Molecular Input Line Entry System; HOMO: highest occupied molecular orbital; LUMO: lowest unoccupied molecular orbital; CVAE: Conditional Variational Autoencoder; RDKit: Open-Source Cheminformatics Software Toolkit; Gsol: solvation free energy; COSMO-RS: Conductor-like Screening Model for Real Solvents; FEC: fluoroethylene carbonate; MW: molecular weight; QWEN3: Qwen3-235B-A22B-FP8 model; MCP: Model Context Protocol.
