Licensing Opportunity: Cross-Facility Orchestration for Electrochemistry Experiments and Computations

Invention Reference Number: 202405605 Electrochemistry synthesis and characterization testing typically occurs manually at a research facility. This requires controlling instruments using custom graphical user interfaces (GUIs), and collecting measurements and transferring them to specialized computing workstations for analysis. This in turn affects the tempo and accuracy due to the limits of manual experiment repetition.

This technology consists of design and development of hardware and software to support autonomous chemistry workflow, real-time measurement transfer, and analysis on remote high-performance computing systems across an ecosystem of computing and instrument platforms, thereby reducing or eliminating many of the challenges of manual testing.

Description Software and hardware design, integration, and implementation of an advanced instrument-computing ecosystem (ICE) are essential to supporting AI-driven chemistry experiments, real-time measurement transfer, and analysis on high-performance computing (HPC) systems.

This invention describes a solution to integrate electrochemistry experiments into an ICE of instruments and HPC systems by deploying custom hub networks and gateway computers at instrument facilities, and providing APIs for automating the operations of specialized chemistry instruments and remote experiment steering, using client-server modules over a network.

These experiments are orchestrated via a Jupyter Notebook to support remote execution on HPC platforms, as well as adapt to various compute and data services.

Benefits Automates electrochemistry workflow Improved output yields and productivity Minimizes errors Reduces human operations Improves experiment time Applications and Industries Electrochemistry Isotope production Flow Metallurgy Electroplating Battery testing Fuel cells Analytical chemistry Biological research Electrosynthesis Contact To learn more about this technology, email partnerships@ornl.gov or call 865-574-1051.