Accurate cell models depend strongly on high-quality input parameters, yet electrochemical parameters are often difficult to obtain. By integrating molecular dynamics simulations from Compular Lab with PROTEO, the physics-based design tool developed by CIDETEC, we significantly enhance simulation accuracy. This leads to more realistic modeling that closely aligns with experimental data.

Our study on a sodium-ion system with varying electrolyte compositions revealed a strong correlation between electrolyte formulation and performance metrics. These results highlight the importance of high-fidelity parameterization and demonstrate the value of combining Compular Lab and PROTEO as a powerful approach for predictive simulations. You can find the full study in our whitepaper.

We presented the results with Cidetec at the Battery Show Europe 2025 in early June.

We are glad to discuss these findings and explore potential collaborations.