Blue Gene: A vision for protein science using a petaflop supercomputer. - Frances E. Allen; George S. Almási; Wanda Andreoni; Daniel K. Beece; Bruce J. Berne; Arthur A. Bright; José R. Brunheroto; Calin Cascaval; José G. Castaños; Paul Coteus; Paul Crumley; Alessandro Curioni; et al. (IBM Syst. J., 2001)

Performance of a Novel Algorithm for Perpendicular Magnetic Recording Simulation. - Dennis M. Newns; Wilm E. Donath; Glenn J. Martyna; Manfred E. Schabes; Byron H. Lengsfield III; Thomas Schrefl (IPDPS, 2002)

A novel, scalable algorithm for magnetic recording simulation. - Dennis M. Newns; Wilm E. Donath; Glenn J. Martyna; Manfred E. Schabes; B. H. Lengsfield (CE, 2003)

Novel efficient techniques for computer simulation of magnetic recording. - Dennis M. Newns; Wilm E. Donath; Glenn J. Martyna; Manfred E. Schabes; Byron H. Lengsfield III (IBM J. Res. Dev., 2004)

Scalable fine-grained parallelization of plane-wave-based ab initio molecular dynamics for large supercomputers. - Ramkumar V. Vadali; Yan Shi; Sameer Kumar 001; Laxmikant V. Kalé; Mark E. Tuckerman; Glenn J. Martyna (J. Comput. Chem., 2004)

Performance of the 3D FFT on the 6D network torus QCDOC parallel supercomputer. - Bin Fang; Yuefan Deng; Glenn J. Martyna (Comput. Phys. Commun., 2007)

A fine grained parallel smooth particle mesh Ewald algorithm for biophysical simulation studies: Application to the 6-D torus QCDOC supercomputer. - Bin Fang; Glenn J. Martyna; Yuefan Deng (Comput. Phys. Commun., 2007)

Error and timing analysis of multiple time-step integration methods for molecular dynamics. - Guowen Han; Yuefan Deng; James Glimm; Glenn J. Martyna (Comput. Phys. Commun., 2007)

Fine-grained parallelization of the Car - Parrinello ab initio molecular dynamics method on the IBM Blue Gene/L supercomputer. - Eric J. Bohm; Abhinav Bhatele; Laxmikant V. Kalé; Mark E. Tuckerman; Sameer Kumar 001; John A. Gunnels; Glenn J. Martyna (IBM J. Res. Dev., 2008)

Dynamical Spatial Warping: A Novel Method for the Conformational Sampling of Biophysical Structure. - Peter Minary; Mark E. Tuckerman; Glenn J. Martyna (SIAM J. Sci. Comput., 2008)

Car-Parrinello Method. - Mark E. Tuckerman; Eric J. Bohm; Laxmikant V. Kalé; Glenn J. Martyna (Encyclopedia of Parallel Computing, 2011)

OpenAtom: Ab initio Molecular Dynamics for Petascale Platforms. - Glenn J. Martyna; Eric J. Bohm; Ramprasad Venkataraman; Laxmikant V. Kalé; Abhinav Bhatele (Parallel Science and Engineering Applications, 2013)

OpenAtom: Scalable Ab-Initio Molecular Dynamics with Diverse Capabilities. - Nikhil Jain; Eric J. Bohm; Eric Mikida; Subhasish Mandal; Minjung Kim; Prateek Jindal; Qi Li 012; Sohrab Ismail-Beigi; Glenn J. Martyna; Laxmikant V. Kalé (ISC, 2016)

Electronic coarse graining enhances the predictive power of molecular simulation allowing challenges in water physics to be addressed. - Flaviu S. Cipcigan; Vlad P. Sokhan; Jason Crain; Glenn J. Martyna (J. Comput. Phys., 2016)

Scalable GW software for quasiparticle properties using OpenAtom. - Minjung Kim; Subhasish Mandal; Eric Mikida; Kavitha Chandrasekar; Eric J. Bohm; Nikhil Jain; Qi Li 012; Raghavendra Kanakagiri; Glenn J. Martyna; Laxmikant V. Kalé; Sohrab Ismail-Beigi (Comput. Phys. Commun., 2019)