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DTSTAMP:20260422T000712Z
LOCATION:708
DTSTART;TZID=America/Denver:20231112T112000
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UID:submissions.supercomputing.org_SC23_sess425_ws_xloop105@linklings.com
SUMMARY:Cross-Facility Orchestration of Electrochemistry Experiments and C
 omputations
DESCRIPTION:Anees Al-Najjar, Nageswara Rao, Craig Bridges, and Sheng Dai (
 Oak Ridge National Laboratory (ORNL))\n\nInstrument-computing ecosystems t
 hat support automated electrochemical workflows typically require the inte
 gration of disparate instruments such as  syringe pump, fraction collector
 , and potentiostat, all connected to an electrochemical cell.  These speci
 alized instruments with custom software and interfaces are typically not d
 esigned for network integration and remote automation.  We developed a net
 worked ecosystem of these instruments and computing platforms, including s
 oftware that enables automated workflow orchestration from remote computer
 s.  Specifically, we developed Python wrappers of APIs and custom Pyro cli
 ent-server modules to support remote operation of these instruments over t
 he ecosystem network.  Herein, we describe a specific workflow {for genera
 ting and validating voltammogram (I-V) measurements} of an electrolyte sol
 ution pumped into the electrochemical cell.  We demonstrate the orchestrat
 ion of this workflow which is composed using a Jupyter notebook and execut
 ed on a remote computer.\n\nTag: Large Scale Systems, Performance Measurem
 ent, Modeling, and Tools, Software Engineering\n\nRegistration Category: W
 orkshop Reg Pass\n\nSession Chairs: Nicholas Schwarz (Argonne National Lab
 oratory (ANL)) and Justin Wozniak (Argonne National Laboratory (ANL), Univ
 ersity of Chicago)\n\n
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