Advanced user interfaces for EPolyScat, an electron-molecule scattering and photoionization code, in AMOS Gateway

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Abstract
We describe the design, and ongoing implementation and deployment of advanced user interfaces for ePolyScat, an electron–molecule scattering and molecular photoionization software, within the AMOS science gateway framework. The interfaces are developed to support users with varying levels of expertise while enabling efficient execution of complex, multi-step workflows on national cyberinfrastructure resources. We present the design philosophy, stakeholder-driven requirements, and implementation using the Django web framework atop Apache Airavata. An initial deployment within the AMOS Gateway demonstrates how intuitive interfaces can significantly improve accessibility, transparency, and usability for computing electron–molecule scattering cross sections.
Funding Information
  • National Science Foundation (OAC-2311928)

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