Improvement in molecule exchange efficiency in Gibbs ensemble Monte Carlo: Development and implementation of the continuous fractional component move. - Wei Shi; Edward J. Maginn (J. Comput. Chem., 2008)

Cassandra: An open source Monte Carlo package for molecular simulation. - Jindal K. Shah; Eliseo Marin-Rimoldi; Ryan Gotchy Mullen; Brian P. Keene; Sandip Khan; Andrew S. Paluch; Neeraj Rai; Lucienne L. Romanielo; Thomas W. Rosch; Brian Yoo; Edward J. Maginn (J. Comput. Chem., 2017)

PyLAT: Python LAMMPS Analysis Tools. - Michael T. Humbert; Yong Zhang 041; Edward J. Maginn (J. Chem. Inf. Model., 2019)

MoSDeF Cassandra: A complete Python interface for the Cassandra Monte Carlo software. - Ryan S. DeFever; Ray A. Matsumoto; Alexander W. Dowling; Peter T. Cummings; Edward J. Maginn (J. Comput. Chem., 2021)

Machine Learning Directed Optimization of Classical Molecular Modeling Force Fields. - Bridgette J. Befort; Ryan S. DeFever; Garrett M. Tow; Alexander W. Dowling; Edward J. Maginn (J. Chem. Inf. Model., 2021)