Massively parallel symplectic algorithm for coupled magnetic spin dynamics and molecular dynamics. - Julien Tranchida; Steven J. Plimpton; Pascal Thibaudeau; Aidan P. Thompson (J. Comput. Phys., 2018)

Multi-fidelity machine-learning with uncertainty quantification and Bayesian optimization for materials design: Application to ternary random alloys. - Anh Tran; Julien Tranchida; Tim Wildey; Aidan P. Thompson (CoRR, 2020)

LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales. - Aidan P. Thompson; Hasan Metin Aktulga; Richard Berger; Dan S. Bolintineanu; W. Michael Brown; Paul S. Crozier; Pieter J. in 't Veld; Axel Kohlmeyer; Stan G. Moore; Trung Dac Nguyen; Ray Shan; Mark J. Stevens; et al. (Comput. Phys. Commun., 2022)