The International Conference for High Performance Computing, Networking, Storage, and Analysis
The International Conference for High Performance Computing, Networking, Storage, and Analysis
Workshop: XLOOP 2023: The 5th Annual Workshop on Extreme-Scale Experiment-in-the-Loop Computing
Authors: Anees Al-Najjar (Oak Ridge National Laboratory (ORNL)) and Nageswara Rao, Craig Bridges, and Sheng Dai (Oak Ridge National Laboratory)
Abstract: Instrument-computing ecosystems that support automated electrochemical workflows typically require the integration of disparate instruments such as syringe pump, fraction collector, and potentiostat, all connected to an electrochemical cell. These specialized instruments with custom software and interfaces are typically not designed for network integration and remote automation. We developed a networked ecosystem of these instruments and computing platforms, including software that enables automated workflow orchestration from remote computers. Specifically, we developed Python wrappers of APIs and custom Pyro client-server modules to support remote operation of these instruments over the ecosystem network. Herein, we describe a specific workflow {for generating and validating voltammogram (I-V) measurements} of an electrolyte solution pumped into the electrochemical cell. We demonstrate the orchestration of this workflow which is composed using a Jupyter notebook and executed on a remote computer.