Overview

The Fourier-filtered Relative Entropy Minimization (FF-REM) is a computational method for the optimization of simple isotropic pair potentials (IPPs) developed by Carl S. Adorf and co-workers in the group by Sharon C. Glotzer at the University of Michigan.

The source code is available on Bitbucket. For more information, please see the associated paper.

Acknowledgments

We thank Paul M. Dodd, Pablo F. Damasceno, and Bryan J. VanSaders for helpful discussions and Rose K. Cersonsky for assistance with structure identication. We thank Matthew Spellings for support with the implementation of the machine-learning based crystal structure detection algorithm. This research was supported in part by the National Science Foundation, Division of Materials Research Award # DMR 1409620 and by a Simons Investigator Award from the Simons Foundation to Sharon Glotzer. J.A. is supported by a National Science Foundation Graduate Research Fellowship Grant No. DGE 1256260. J.D. acknowledges support through the Early Postdoc.Mobility Fellowship from the Swiss National Science Foundation, grant number P2EZP2 152128. This work used the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation grant number ACI-1053575; XSEDE award DMR 140129. Additional computational resources and services provided by Advanced Research Computing at the University of Michigan, Ann Arbor.