eOn Team

eOn is maintained by Rohit Goswami and the Jónsson Group at the University of Iceland. For background on the project’s history and relationship to the UT Austin codebase, see this post.

Active Contributors

Jónsson Group (University of Iceland)

• Rohit Goswami, maintainer & release manager

• Andreas Pederson

• Alejandro Pena Torres

• Vilhjálmur Ásgeirsson

Historical Contributors (pre-v2.8)

The Henkelman group were major contributors up to v2.8. See their project page and this post for background.

Henkelman Group (UT Austin)

• Samuel Chill

• Rye Terrell

• Matthew Welborn

• Liang Zhang

• Akksay Singh

• S. Alireza Ghasemi

• Juliana Duncan

• Naman Katyal

• Sung Hoon Jung

Li Lei Group

• SONG Zichen

Other contributions

With contributions from a number of other developers:

• Tobias Brink (TU Darmstadt)

• Ian Johnson (UT)

• Saif Kazim (UT)

• Jean Claude Berthet (Iceland)

• Raymond Smith (UT)

• Erik Edelmann (Finland)

• Jutta Rogal (Bochum)

Related software and collaborators

The development of eOn has been influenced and supported by the following key collaborators and groups, many of which came together for the CECAM-LTS-MAP workshop:

• The MAMASMIAS consortium, represented by Dr. Miha Gunde, has had a major impact on recent versions of the code, particularly in improving its interoperability.[1]

Discussions on the software’s architecture have been advanced by our collaborators in Canada:

• Prof. Laurent Béland (Queen’s University, Kingston) led strategic discussions on the design of KMC algorithms and provided direct support for the project by funding Rohit Goswami’s development work for a quarter in 2025 towards combining disparate KMC codes[2] .

  • The k-ART[3] group of Prof. Normand Mousseau (University of Montreal) contributed to discussions on project’s high-level design.

Rohit also acknowledges funding support from lab-COSMO, for supporting metatomic models in eOn, in particular Dr. Guillaume Fraux and Prof. Michele Ceriotti.

License history

eOn was originally licensed under the GNU GPL v3 until 2017. In 2017, the license was changed to GNU GPL v2. Since 2020, eOn is licensed under the BSD 3-Clause License. Some more context is at gh-140.

Footnotes

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[1]

IRA has also been used in tandem with eOn for research in 2024-2025

[2]

The work-in-progress (2025) pyKMC code blends concepts from eOn and k-ART

[3]

k-ART is an off-lattice KMC code primarily used for metals but with overlapping concepts