Skip to main content
U.S. flag

An official website of the United States government

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.

Simulation For All: The Atomic, Molecular, and Optical Science Gateway



kathryn hamilton, klaus bartschat, nicolas douguet, sudhakar pamidighantam, robert lucchese, Barry I. Schneider


A challenge facing the Atomic, \hboxMolecular}, 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 Atomic, Molecular, and Optical Sciences Gateway (AMOSGateway), an international collaboration of leading AMOS computational scientists\footnoteIgor Bray ( Curtin, AU ), Armin Scrinzi ( Munich, DE ), Fernando Martin/Jesus Gonzalez Vasquez ( UAM, SP ), Jimena Gorfinkiel ( Open U, UK ), Andrew Brown ( Belfast, IE ), Charlotte Froese Fischer ( NIST, US )}, is changing this paradigm by creating a platform for computational AMOS which will enable both novice and experienced users to produce new and needed scientific results on a scale heretofore impossible. Powered by an advanced cyberinfrastructure, the AMOSGateway currently hosts ten state-of-the-art AMOS software suites capable of tackling problems that are central to AMOS while impacting many other areas of applied science and technology such as quantum information science and engineering, cold atoms and molecules, plasma physics, and astrophysics. Future updates to the AMOSGateway, including new graphical user interfaces, will further simplify the use of these complex packages by the AMOS community, fundamentally changing the way practitioners acquire the expertise needed to perform cutting-edge computational AMOS research.
computers in science and engineering


science gateway, atomic and molecular physics, computational physics


Hamilton, K. , Bartschat, K. , douguet, N. , Pamidighantam, S. , lucchese, R. and Schneider, B. (2023), Simulation For All: The Atomic, Molecular, and Optical Science Gateway, computers in science and engineering, [online], (Accessed April 23, 2024)
Created June 1, 2023, Updated March 27, 2024