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A Science Gateway for Atomic and Molecular Physics

December 11, 2019 - December 13, 2019

A workshop entitled, “A Science Gateway for Atomic and Molecular Physics” will be held 11-13 December 2019 at NIST Headquarters in Gaithersburg, Maryland.

This project grew out of an National Science Foundation (NSF) supported workshop held at the Institute for Theoretical Atomic and Molecular Physics (ITAMP) Workshop May 14-16, 2018 entitled, “Developing Flexible and Robust Software in Computational Atomic and Molecular (A&M) Physics” organized by Barry Schneider (chair), Robert Forrey (Penn State), and Naduvalath Balakrishnan (UNLV).

Following the workshop six of the groups interested in atomic and molecular collisions and the interaction of those systems with electromagnetic radiation submitted an NSF proposal to the eXtreme Science and Engineering Discovery Environment ( XSEDE ) to build and maintain a Science Gateway devoted to the codes developed in these groups. The purpose of the project is to explore mechanisms to collectively make codes available and easier to use by the partners as well as others in the community. With the proposal granted, the group was joined by Sudhakar Pamidighantam of the XSEDE project for development of the gateway.

With some of the codes being ported to various XSEDE platforms, we are now taking the next step by describing the science and the computational details of our codes to a larger community with the goal of making them available and useful to others and to also invite people who have similar interests to consider more direct participation in the project.

For more information, please visit the AMP Gateway homepage.

Organizing Committee

  • Samantha Fonseca dos Santos – Rollins College
  • Jimena Gorfinkiel – Open University, Milton Keynes UK
  • Alicia Palacios – University of Madrid
  • Marianna Safronova – University of Delaware
  • Barry Schneider – NIST

The AMP Gateway Group

  • Klaus Bartschat and Oleg Zatsarinny – Drake U
  • Igor Bray – Curtin U, AU
  • Armin Scrinzi – Ludwig-Maximilans U, DE
  • Fernando Martin and Jesus Jesús González-Vázquez – U of Madrid, SP
  • Jimena D. Gorfinkiel – Open University, Milton Keynes, UK
  • Jonathan Tennyson – UCL, UK
  • Sudhakar Pamidighantam – IU
  • Barry Schneider – NIST

While we are still engaged in organizing the details of the workshop, the tentative agenda is:

Day 1, Wednesday, Dec 11:

An introduction and some background to set the stage.

One-hour overview talks on the science and computational techniques used in each code and an additional 15 minutes for discussion. These talks will be designed to give the attendees enough background on the science problems that can be tackled with the code and the methods employed by the developers.

Day 2, Thursday, Dec 12:

One-hour demonstrations of using the codes on the gateway with 30 minutes for questions, discussion, comments, etc.

Day 3, Friday, Dec 13:

Short presentations from attendees, open discussions, suggestions, etc. This is currently planned to be a half day, but it could be extended to a full day if there is sufficient interest.

Register by December 4, 2019

All attendees must be pre-registered to gain entry to the NIST campus.



December 11, 2019
December 13, 2019
Event Category:


National Institute of Standards and Technology (NIST)
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NIST Headquarters
100 Bureau Dr.
Gaithersburg, MD 20899 United States
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