A Science Gateway for Atomic and Molecular Physics

POSTER

Abstract

We describe the creation of a new Atomic and Molecular Physics science gateway [1,2]. It is designed to bring together members of the AMP community to work collectively on making their codes publicly available and easy to use. A project such as this requires the developers to work on issues of portability, documentation, ease of input, as well as ensuring that the codes run on a variety of architectures. We present an outline of our efforts to build the gateway, the current status as discussed in a recent workshop held at NIST on Dec 11-13, 2019, and our long-range plans to further extend the functionality of the gateway. [1]~https://ampgateway.org/ [2]~https://arxiv.org/abs/2001.02286

*Supported by MolSSI, NSF, NIST, and XSEDE.

Authors

  • B. I. Schneider

    • National Institute of Standards and Technology

  • K. Bartschat

    • Drake University

  • K. R. Hamilton

    • Drake University

  • O. Zatsarinny

    • Drake University

  • I. Bray

    • Curtin University

  • A. Scrinzi

    • Ludwig-Maximilians Universit\"at

  • Fernando Martin

    • Autonomous University of Madrid
    • Universidad Autónoma de Madrid
    • Universidad Autonoma de Madrid
    • IMDEA Nanoscience & Universidad Autonoma de Madrid

  • J. Gonzalez-Vazquez

    • Universidad Autonoma de Madrid

  • J. Tennyson

    • University College London

  • J. D. Gorfinkiel

    • The Open University

  • S. Pamidighantam

    • Indiana University and the eXtreme Science and Engineering Discovery Environment (XSEDE).