Scaling physics and material science applications on a massively parallel Blue Gene/L system. - George Almási 001; Gyan Bhanot; Alan Gara; Manish Gupta 002; James C. Sexton; Robert Walkup; Vasily V. Bulatov; Andrew W. Cook; Bronis R. de Supinski; James N. Glosli; Jeffrey A. Greenough; François Gygi; et al. (ICS, 2005)

Extending stability beyond CPU millennium: a micron-scale atomistic simulation of Kelvin-Helmholtz instability. - James N. Glosli; David F. Richards; K. J. Caspersen; R. E. Rudd; John A. Gunnels; Frederick H. Streitz (SC, 2007)

BlueGene/L applications: Parallelism On a Massive Scale. - Bronis R. de Supinski; Martin Schulz 001; Vasily V. Bulatov; William H. Cabot; Bor Chan; Andrew W. Cook; Erik W. Draeger; James N. Glosli; Jeffrey A. Greenough; Keith W. Henderson; Alison Kubota; Steve Louis; et al. (Int. J. High Perform. Comput. Appl., 2008)

Beyond homogeneous decomposition: scaling long-range forces on Massively Parallel Systems. - David F. Richards; James N. Glosli; Bor Chan; Milo R. Dorr; Erik W. Draeger; Jean-Luc Fattebert; William D. Krauss; Thomas E. Spelce; Frederick H. Streitz; Michael P. Surh; John A. Gunnels (SC, 2009)

Toward real-time modeling of human heart ventricles at cellular resolution: simulation of drug-induced arrhythmias. - Arthur A. Mirin; David F. Richards; James N. Glosli; Erik W. Draeger; Bor Chan; Jean-Luc Fattebert; William D. Krauss; Tomas Oppelstrup; John Jeremy Rice; John A. Gunnels; Viatcheslav Gurev; Changhoan Kim; et al. (SC, 2012)

Dynamic load balancing algorithm for molecular dynamics based on Voronoi cells domain decompositions. - Jean-Luc Fattebert; David F. Richards; James N. Glosli (Comput. Phys. Commun., 2012)

Performance Characteristics of Hardware Transactional Memory for Molecular Dynamics Application on BlueGene/Q: Toward Efficient Multithreading Strategies for Large-Scale Scientific Applications. - Manaschai Kunaseth; Rajiv K. Kalia; Aiichiro Nakano; Priya Vashishta; David F. Richards; James N. Glosli (IPDPS Workshops, 2013)

Science at LLNL with IBM Blue Gene/Q. - Brian Carnes; Bor Chan; Erik W. Draeger; Jean-Luc Fattebert; Larry Fried; James N. Glosli; William D. Krauss; Steve H. Langer; Rose McCallen; Arthur A. Mirin; Fady Najjar; Albert L. Nichols; et al. (IBM J. Res. Dev., 2013)

Analysis of scalable data-privatization threading algorithms for hybrid MPI/OpenMP parallelization of molecular dynamics. - Manaschai Kunaseth; David F. Richards; James N. Glosli; Rajiv K. Kalia; Aiichiro Nakano; Priya Vashishta (J. Supercomput., 2013)

Early Experiences Porting Three Applications to OpenMP 4.5. - Ian Karlin; Tom Scogland; Arpith C. Jacob; Samuel F. Antão; Gheorghe-Teodor Bercea; Carlo Bertolli; Bronis R. de Supinski; Erik W. Draeger; Alexandre E. Eichenberger; Jim Glosli; Holger Jones; Adam Kunen; et al. (IWOMP, 2016)

Preparation and optimization of a diverse workload for a large-scale heterogeneous system. - Ian Karlin; Yoonho Park; Bronis R. de Supinski; Peng Wang; Bert Still; David Beckingsale; Robert Blake; Tong Chen 001; Guojing Cong; Carlos H. A. Costa; Johann Dahm; Giacomo Domeniconi; et al. (SC, 2019)

A massively parallel infrastructure for adaptive multiscale simulations: modeling RAS initiation pathway for cancer. - Francesco Di Natale; Harsh Bhatia; Timothy S. Carpenter; Chris Neale; Sara Kokkila Schumacher; Tomas Oppelstrup; Liam Stanton; Xiaohua Zhang; Shiv Sundram; Thomas R. W. Scogland; Gautham Dharuman; Michael P. Surh; et al. (SC, 2019)

Comparing GPU Power and Frequency Capping: A Case Study with the MuMMI Workflow. - Tapasya Patki; Zachary Frye; Harsh Bhatia; Francesco Di Natale; James N. Glosli; Helgi I. Ingólfsson; Barry Rountree (WORKS@SC, 2019)

Generalizable coordination of large multiscale workflows: challenges and learnings at scale. - Harsh Bhatia; Francesco Di Natale; Joseph Y. Moon; Xiaohua Zhang; Joseph R. Chavez; Fikret Aydin; Christopher B. Stanley; Tomas Oppelstrup; Chris Neale; Sara Kokkila Schumacher; Dong H. Ahn; Stephen Herbein; et al. (SC, 2021)

Machine-learning-based dynamic-importance sampling for adaptive multiscale simulations. - Harsh Bhatia; Timothy S. Carpenter; Helgi I. Ingólfsson; Gautham Dharuman; Piyush Karande; Shusen Liu 001; Tomas Oppelstrup; Chris Neale; Felice C. Lightstone; Brian Van Essen; James N. Glosli; Peer-Timo Bremer (Nat. Mach. Intell., 2021)

Identifying Orientation-specific Lipid-protein Fingerprints using Deep Learning. - Fikret Aydin; Konstantia Georgouli; Gautham Dharuman; James N. Glosli; Felice C. Lightstone; Helgi I. Ingólfsson; Peer-Timo Bremer; Harsh Bhatia (CoRR, 2022)