When I started out as a Master's student in computational materials science, I learned to work with Quantum ESPRESSO because that's what people in my research group were using. While I got to know a broader set of tools as time went on, I could never quite shake the feeling that I was lacking a comprehensive overview of the landscape of atomistic simulation engines, leaving me potentially unaware of important tools and trends relevant to my work.

The atomistic.software web site and the associated "perpetual review" were prompted by a question about trends in the licensing of atomistic simulation engines, but I hope practitioners will also find it useful for getting a better overview of this dynamic field, including trends at the level of individual codes and the entire ecosystem.

Feedback, criticism, and suggestions for future directions of atomistic.software are always welcome, both publicly via issues on the corresponding repository on GitHub as well as via private email to [email protected] .