CDI Data and Integration Activities provide a common backbone for the acquisition, storage, and analysis of the wide range of data formats produced throughout the Chemical Dynamics Initiative by developing unique tools and methods for processing and data management.

Project teams are advancing the state-of-the-art for data science with innovative, user-friendly platforms for data version control and experiment tracking as well as new techniques for statistical interpretations of sparse data, physics-based machine learning, data-driven tools for scientific modeling, and human-in-the-loop evaluation of complex, coupled systems.

Data and Integration Activities Projects

• Big and Sparse Data Sciences Integration with Theory, Experiment, Simulations, and Uncertainty Quantification
• Integration and Infrastructure Toolsets
• Physics-Informed Deep Learning Model for Data-Driven Prediction and Discovery
• State Space Discovery and Data-Driven Modeling of Chemical Systems
• Uncertainty Quantification for Complex Systems

• Graph-Based Signature Discovery and Forecasting of Dynamic Chemical Systems