The overarching goal of the project is to create a comprehensive cyberinfrastructure for the atomic, molecular, and optical science (AMOS) community where practitioners can access a synergistic, full-scope platform for computational AMOS. The developers are striving to make the AMOS Gateway useful as an educational tool for students and researchers interested in computational AMOS. Importantly, use of the AMOS Gateway does not require the user to download and build these codes on their own platform, which is often difficult, especially for non-experts.
AMOS Gateway allows users to deploy calculations on a number of NSF computational systems. The user submits appropriate data files to the gateway interfaces, and results are returned on the gateway. Data may then be analyzed in-situ or downloaded to another platform for more detailed inspection.
The project was the brainchild of Dr Barry Schneider a research physicist at the National Institute of Standards and Technology and was a product of his many years as an active researcher in computational atomic and molecular physics. Schneider was convinced that the potential for generating new science that would be unleashed by enabling these powerful computational tools to be used by a much larger community was substantial. Given that many of these codes were homegrown, poorly documented and difficult to use especially by non-experts, this was not a task easily accomplished by a single individual. Schneider was able to organize a number of active researchers in computational atomic and molecular physics to get behind the project and as described below, the proverbial wheels began to turn.
Today, the AMOS Gateway has almost 400 registered on the website and is the recipient of a $3.46M grant for five years from the CISE Office of Advanced Cyberinfrastructure of the NSF. It has also benefitted enormously from support from the NSF XSEDE and ACCESS projects.