AMOS Gateway: A Science Gateway for Atomic, Molecular, and Optical Science

A challenge facing the Atomic, Molecular, and Optical Science (AMOS) community is the lack of a coordinated approach to using and sharing the computational tools and data that have grown organically in the theoretical community. The aim of the Atomic, Molecular, and Optical Sciences Gateway (AMOS Gateway) therefore, is to create a platform for computational AMOS enabling both experienced and novice users to produce new and needed scientific results on a scale heretofore impossible. This science gateway will initially host ten state-of-the-art AMOS software suites, with applications capable of tackling problems that are central to AMOS, while impacting many other areas of applied science and technology. Examples include computing atomic spectra, transition probabilities, and electron and positron collision and photoionization processes, including short-pulse intense-field laser-atom/molecule interactions. 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 AMOS Gateway account. In addition, the gateway serves as an excellent vehicle to educate students in computational AMOS via hands-on calculation, and as a hub for material created by the developers for teaching, workshops and conferences. Properly designed user interfaces, tutorials, and periodic lectures will vastly improve how students at all levels, as well as interested members of the public, learn AMOS and its impact on applications that they use every day. This provides an invaluable preparation for entering a diversified workforce, for application fields such as quantum information science and engineering, cold atoms and molecules, plasma physics, and astrophysics, all of which build on a fundamental knowledge of AMOS.