Application of Parallel Replica Dynamics to Pyrolysis of n-Hexadecane. - O. Kum; B. M. Dickson; Steven J. Stuart; B. P. Uberuaga; A. F. Voter (IASTED PDCS, 2002)

An Object-oriented Framework for Parallel, Reactive Molecular Dynamics Simulation. - Steven J. Stuart; Yang Li; J. W. Mintmire (IASTED PDCS, 2002)

Empirical bond-order potential for hydrocarbons: Adaptive treatment of van der Waals interactions. - Aibing Liu; Steven J. Stuart (J. Comput. Chem., 2007)

Automated, Parallel Optimization Algorithms for Stochastic Functions. - Dheeraj Chahal; Steven J. Stuart; Sebastien Goasguen; Colin J. Trout (IPDPS Workshops, 2011)

Optimization of density functional tight-binding and classical reactive molecular dynamics for high-throughput simulations of carbon materials. - Jacek Jakowski; Bilel Hadri; Steven J. Stuart; Predrag Krstic; Stephan Irle; Dulma Nugawela; Sophya Garashchuk (XSEDE, 2012)

Simulation of multiphase systems utilizing independent force fields to control intraphase and interphase behavior. - Pradip K. Biswas; Nadeem A. Vellore; Jeremy A. Yancey; Tugba G. Kucukkal; Galen Collier; Bernard R. Brooks; Steven J. Stuart; Robert A. Latour (J. Comput. Chem., 2012)

Highly Energetic Collisions of Xe with Fullerene Clusters. - Dulma Nugawela; Steven J. Stuart; Jacek Jakowski (XSEDE, 2014)

Cluster analysis of molecular simulation trajectories for systems where both conformation and orientation of the sampled states are important. - Tigran M. Abramyan; James A. Snyder; Aby A. Thyparambil; Steven J. Stuart; Robert A. Latour (J. Comput. Chem., 2016)