Towards microsecond biological molecular dynamics simulations on hybrid processors. - Scott S. Hampton; Pratul K. Agarwal; Sadaf R. Alam; Paul S. Crozier (HPCS, 2010)

Optimal Utilization of Heterogeneous Resources for Biomolecular Simulations. - Scott S. Hampton; Sadaf R. Alam; Paul S. Crozier; Pratul K. Agarwal (SC, 2010)

The development of Mellanox/NVIDIA GPUDirect over InfiniBand - a new model for GPU to GPU communications. - Gilad Shainer; Ali Ayoub; Pak Lui; Tong Liu; Michael Kagan; Christian Trott; Greg Scantlen; Paul S. Crozier (Comput. Sci. Res. Dev., 2011)

Poster: Assessing the Predictive Capabilities of Mini-applications. - Richard F. Barrett; Paul S. Crozier; Douglas Doerfler; Simon D. Hammond; Mike Heroux; Paul T. Lin; Tim Trucano; Courtenay T. Vaughan; Alan B. Williams (SC Companion, 2012)

Performance modeling of microsecond scale biological molecular dynamics simulations on heterogeneous architectures. - Pratul K. Agarwal; Scott S. Hampton; Jeffrey D. Poznanovic; Arvind Ramanathan; Sadaf R. Alam; Paul S. Crozier (Concurr. Comput. Pract. Exp., 2013)

Assessing the role of mini-applications in predicting key performance characteristics of scientific and engineering applications. - Richard F. Barrett; Paul S. Crozier; Douglas Doerfler; Michael A. Heroux; Paul T. Lin; Heidi Thornquist; Tim Trucano; Courtenay T. Vaughan (J. Parallel Distributed Comput., 2015)

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)