The Computational and Theoretical Chemistry Institute (CTCI) aspires to establish a premier international center for chemistry and materials science software at extreme scales.
The Data-Model Convergence (DMC) Initiative is a multidisciplinary effort to create the next generation of scientific computing capability through a software and hardware co-design methodology.
The Institute for Integrated Catalysis (IIC) at Pacific Northwest National Laboratory explores and develops the chemistry and technology of catalyzed processes that enable a carbon-neutral future.
PNNL data scientists and engineers will be presenting at NeurIPS, the Thirty Fourth Conference on Neural Information Processing Systems, and the co-located Women in Machine Learning workshop, WiML.
The user-friendly Project Schedule Visualizer software developed at PNNL helps users readily identify and understand the impacts of updates to the schedule, budget, and risks associated with large, complex projects that cross departments.
PNNL has developed a tool suite of interactive analytics that can be rapidly integrated into analyst workflows to empirically analyze and gain qualitative understanding of AI model performance jointly across dimensions.
Visual Sample Plan (VSP) is a software tool that supports the development of a defensible sampling plan based on statistical sampling theory and the statistical analysis of sample results to support confident decision making.
