Densest Packings & Shape Entropy

Understanding shape entropy through local dense packing
Greg van Anders, Daphne Klotsa, N. Khalid Ahmed, Michael Engel, Sharon C. Glotzer
PNAS 111, E4812–E4821 (2014)

Complexity in Surfaces of Densest Packings for Families of Polyhedra
Elizabeth R. Chen, Daphne Klotsa, Michael Engel, Pablo F. Damasceno, Sharon C. Glotzer
Phys. Rev. X 4, 011024 (2014)

Entropically Patchy Particles: Engineering Valence through Shape Entropy
Greg van Anders, N. Khalid Ahmed, Ross Smith, Michael Engel, Sharon C. Glotzer
ACS Nano 8, 931–940 (2014)

Packings of Hard Polyhedra


The Polyhedral Zoo – 145 Convex Polyhedra
Predictive Self-Assembly of Polyhedra into Complex Structures
Pablo F. Damasceno, Michael Engel, Sharon C. Glotzer
Science 337, 453-457 (2012)

Truncated Tetrahedra
Crystalline Assemblies and Densest Packings of a Family of Truncated Tetrahedra and the Role of Directional Entropic Forces
Pablo F. Damasceno, Michael Engel, Sharon C. Glotzer
ACS Nano 6, 609–614 (2012)

Triangular Bipyramids
Degenerate Quasicrystal of Hard Triangular Bipyramids
Amir Haji-Akbari, Michael Engel, Sharon C. Glotzer
Phys. Rev. Lett. 107, 215702 (2011)

Disordered, quasicrystalline and crystalline phases of densely packed tetrahedra
Amir Haji-Akbari, Michael Engel, Aaron S. Keys, Xiaoyu Zheng, Rolfe G. Petschek, Peter Palffy-Muhoray, Sharon C. Glotzer
Nature 462, 773-777 (2009)
Phase diagram of hard tetrahedra
Amir Haji-Akbari, Michael Engel, Sharon C. Glotzer
J. Chem. Phys. 135, 194101 (2011)



HOOMD-blue is a general-purpose particle simulation toolkit. It scales from a single CPU core to thousands of GPUs.

You define particle initial conditions and interactions in a high-level python script. Then tell HOOMD-blue how you want to execute the job and it takes care of the rest. Python job scripts give you unlimited flexibility to create custom initialization routines, control simulation parameters, and perform in situ analysis.

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The signac framework aids in the management of large and heterogeneous data spaces.

It provides a simple and robust data model to create a well-defined indexable storage layout for data and metadata. This makes it easier to operate on large data spaces, streamlines post-processing and analysis and makes data collectively accessible.