Extracting\nThin Film Structures of Energy Materials\nUsing Transformers

Neutron-Transformer Reflectometry Advanced Computation\nEngine (<i>N-TRACE</i>), a neural network model using a\ntransformer architecture,\nis introduced for neutron reflectometry data analysis. It offers fast,\naccurate initial parameter estimations and efficient refinements,\nimproving efficiency and precision for real-time data analysis of\nlithium-mediated nitrogen reduction for electrochemical ammonia synthesis,\nwith relevance to other chemical transformations and batteries. Despite\nlimitations in generalizing across systems, it shows promises for\nthe use of transformers as the basis for models that could accelerate\ntraditional approaches to modeling reflectometry data.