Goal 2
Goal 2: Interface Fundamentals. LiSA will establish a validated understanding of the elementary steps that control performance at well-defined interfaces by pairing first-principles calculations with experiments explicitly designed for direct comparison. This goal focuses on building the “ground truth” needed to test models and quantify uncertainty, including benchmarking theory where it disagrees with measurements and generating reference-quality data for key interactions and reaction steps. These fundamentals provide the anchor for Goal 1 model training and for scaling predictions toward more complex interfaces and operating conditions.
