Atomic and Molecular Physics Gateway

The AMP gateway hosts state-of-the-art AMP software suites and provides the community with an easy-to-use platform for calculations involving the static and dynamic properties of multi electron atoms and molecules.

Codes are available for computing cross sections for electron scattering, photoionization and solutions of the time-dependent Schrödinger equation in the presence of strong and ultrafast electromagnetic fields. While use of the gateway is free, you must create an account.

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Currently Available Codes:

Data Repositories

Calculations performed using the gateway will be archived here. Links to other useful data bases are also posted.

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Documentation

See the following two papers for details on the gateway.

  • B. I. Schneider, K. Bartschat, O. Zatsarinny, I. Bray, A. Scrinzi, F. Martin, M. Klinker, J. Tennyson, J. D. Gorfinkiel and S. Pamidighantam, "A Science Gateway for Atomic and Molecular Physics,” https://arxiv.org/abs/2001.02286
  • B. I. Schneider, K. Bartschat, O. Zatsarinny, K. R. Hamilton, I. Bray, A. Scrinzi, F. Mart´ın, J. G. Vasquez, J. Tennyson, J. D. Gorfinkiel, R. R. Lucchese and S. Pamidighantam, "Atomic and Molecular Scattering Applications in an Apache Airavata Science Gateway", https://dl.acm.org/doi/10.1145/3311790.3397342

For the present, see the web pages of the individual packages.

Documentation

Topics of Interest

Attosecond Chemistry COST Action is running a workshop focused on the models and numerical methods for the description of ionization and electron dynamics in molecules. The workshop will be held as a virtual event from 17th to 19th February 2021 and will be livestreamed on YouTube:

https://www.youtube.com/channel/UCsUudQkqiW1SZ9aojOTKq_A

Info on the schedule, invited speakers, etc. here:  

https://atom.ubbcluj.ro/attochem-wg2/