Simulating accidental fires and explosions. - Thomas C. Henderson; Patrick McMurtry; Philip J. Smith; Gregory A. Voth; Charles A. Wight; David W. Pershing (Comput. Sci. Eng., 2000)

Centroid molecular dynamics: A quantum dynamics method suitable for the parallel computer. - Marc Pavese; Soonmin Jang; Gregory A. Voth (Parallel Comput., 2000)

New Materials Design. - Jerry A. Boatz; Mark S. Gordon; Gregory A. Voth; Sharon Hammes-Schiffer; Ruth Pachter (International Conference on Computational Science (1), 2001)

Interfacing molecular dynamics with continuum dynamics in computer simulation: Toward an application to biological membranes. - Gary S. D. Ayton; Scott Bardenhagen; Patrick McMurtry; Deborah Sulsky; Gregory A. Voth (IBM J. Res. Dev., 2001)

Modeling condensed-phase chemistry through molecular dynamics simulation. - Srinivasan Iyengar; Christian J. Burnham; Matt K. Petersen; Gregory A. Voth (Comput. Sci. Eng., 2003)

A Multi-scale Computational Approach for Nanoparticle Growth in Combustion Environments. - Angela Violi; Gregory A. Voth (HPCC, 2005)

Multiscale Coarse-Graining of the Protein Energy Landscape. - Ronald D. Hills Jr.; Lanyuan Lu; Gregory A. Voth (PLoS Comput. Biol., 2010)

Extending parallel scalability of LAMMPS and multiscale reactive molecular simulations. - Yuxing Peng 002; Chris Knight 001; Philip D. Blood; Lonnie D. Crosby; Gregory A. Voth (XSEDE, 2012)

Multiscale model of integrin adhesion assembly. - Tamara Carla Bidone; Austin V. Skeeters; Patrick W. Oakes; Gregory A. Voth (PLoS Comput. Biol., 2019)

Local conformational dynamics regulating transport properties of a Cl-/H+ antiporter. - Zhi Wang; Jessica M. J. Swanson; Gregory A. Voth (J. Comput. Chem., 2020)