The Science Gateway for Atomic, Molecular, and Optical Science (AMOS)

An international group of atomic, molecular, and optical theorists are continuing to develop the AMOSGateway [1], a computational portal where practitioners can access a synergistic, full-scope platform for computational Atomic, Molecular, and Optical Science (AMOS). The gateway currently hosts several state-of-the-art software suites for computing atomic spectra, transition probabilities, electron and positron collision and photoionization processes, including short-pulse intense-field laser-atom/molecule interactions. It is powered by an advanced cyberinfrastructure based on open-source Apache Airavata framework to enable a flexible and easy-to-use platform for the broad AMOS community, as well as researchers and educators who are not computational AMOS scientists. The applications are directly accessed on the gateway, where they have been compiled on several NSF-supported compute systems. Users can access and modify input files for their own purposes and submit them for execution using an ACCESS AMOSGateway account. In addition, the gateway serves as an excellent vehicle to educate students in computational AMOS via hands-on calculations, and as a hub for material created by the developers for teaching, workshops, and conferences. We will report on the current status of the gateway and present hands-on demonstrations.

[1] https://amosgateway.org/