Goal 1
Goal 1: Foundation AI/ML Models. LiSA will build large training datasets from both computation and carefully designed measurements, then use them to create AI/ML “foundation” and custom models that can simulate reactive electrochemical interfaces with high fidelity. The emphasis is on models that can handle realistic solid–liquid and solid–solid interfaces (including the physics needed for electrochemical conditions) and that can be tested against quantitative experimental ground truths, not just against their training data. The resulting simulations will provide atom-level insight and feed into larger-scale models that connect interface behavior to measurable performance.
