Scalable Metropolis Monte Carlo for simulation of hard shapes. - Joshua A. Anderson; M. Eric Irrgang; Sharon C. Glotzer (Comput. Phys. Commun., 2016)

gmxapi: a high-level interface for advanced control and extension of molecular dynamics simulations. - M. Eric Irrgang; Jennifer M. Hays; Peter M. Kasson (Bioinform., 2018)

gmxapi: A GROMACS-native Python interface for molecular dynamics with ensemble and plugin support. - M. Eric Irrgang; Caroline Davis; Peter M. Kasson (PLoS Comput. Biol., 2022)