A general overview

Zeo++ is a open source software for performing high-throughput geometry-based analysis of porous materials and their voids. The main code provides capabilities to calculate the following:

Free and included spheres - definition

The structure of the code makes it particularly well-suited to many problems in physics and materials science, where Voronoi cells can be a useful method of analyzing particle packings.


Zeo++ was written by researchers of the Computational Research Division of the Lawrence Berkeley National laboratory: Maciej Haranczyk, Chris H. Rycroft (now at Harvard), Thomas F. Willems (now at MIT) and Richard L. Martin (now at IBM).
Zeo++ is further-developed and maintained by Maciej Haranczyk and his group. Many functionalities were developed by collaborating students and interns: Marielle Pinheiro, Christopher Oustrouchov, Ismael Garcia Gomez, Daniele Ongari, Sandeep Subramanian, Andrew Jones. Bharat Medasani and Nils Zimmermann have been working on Python interface to Zeo++. Many functions of Zeo++ were developed after suggestions from our collaborators: Berend Smit and his group (multiple contributions over the years), Daniel Holden and Kim Jelfs (grid-based analysis, improved outputs, time-dependent analysis), and Michael Deem ("per channel analysis").


Zeo++ has been developed with generous support from the US Department of Energy. In particular, it was funded in major parts by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences through the Nanoporous Materials Genome Center under award DE-FG02- 17ER16362 (and previously Award DE-FG02-12ER16362) as well as the Center of Advanced Mathematics for Energy Research Applications (CAMERA).