Strategies for non-uniform sampling of molecular dynamics phase space trajectories of relaxation phenomena. - Matthew P. Kroonblawd; Thomas D. Sewell (Comput. Phys. Commun., 2015)

A generalized crystal-cutting method for modeling arbitrarily oriented crystals in 3D periodic simulation cells with applications to crystal-crystal interfaces. - Matthew P. Kroonblawd; Nithin Mathew; Shan Jiang; Thomas D. Sewell (Comput. Phys. Commun., 2016)