Publications Repository - Helmholtz-Zentrum Dresden-Rossendorf

1 Publication

atoMEC: Average-atom code for Matter under Extreme Conditions

Callow, T. J.; Kotik, D.; Tsvetoslavova Stankulova, E.; Kraisler, E.; Cangi, A.


atoMEC is a python-based average-atom code for simulations of high energy density phenomena such as in warm dense matter. It is designed as an open-source and modular python package. atoMEC uses Kohn-Sham density functional theory, in combination with an average-atom approximation, to solve the electronic structure problem for single-element materials at finite temperature.

  • Software in external data repository
    Publication year 2021
    Programming language: Python
    System requirements: n/a
    License: BSD 3-Clause
    Hosted on GitHub: Link to location
    DOI: 10.5281/zenodo.5772266