Large-Scale First-Principles Molecular Dynamics simulations on the BlueGene/L Platform using the Qbox code. - François Gygi; Robert K. Yates; Juergen Lorenz; Erik W. Draeger; Franz Franchetti; Christoph W. Ueberhuber; Bronis R. de Supinski; Stefan Kral; John A. Gunnels; James C. Sexton (SC, 2005)

Gordon Bell finalists I - Large-scale electronic structure calculations of high-Z metals on the BlueGene/L platform. - François Gygi; Erik W. Draeger; Martin Schulz 001; Bronis R. de Supinski; John A. Gunnels; Vernon Austel; James C. Sexton; Franz Franchetti; Stefan Kral; Christoph W. Ueberhuber; Juergen Lorenz (SC, 2006)

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)

Mapping applications with collectives over sub-communicators on torus networks. - Abhinav Bhatele; Todd Gamblin; Steve H. Langer; Peer-Timo Bremer; Erik W. Draeger; Bernd Hamann; Katherine E. Isaacs; Aaditya G. Landge; Joshua A. Levine; Valerio Pascucci; Martin Schulz 001; Charles H. Still (SC, 2012)

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)

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 Pressure Gradient Across Aortic Stenosis with Massively Parallel Computational Simulation. - Amanda Randles; Erik W. Draeger; Franziska Michor (CinC, 2014)

Quantum Dynamics Simulation of Electrons in Materials on High-Performance Computers. - Andre Schleife; Erik W. Draeger; Victor M. Anisimov; Alfredo A. Correa; Yosuke Kanai (Comput. Sci. Eng., 2014)

Massively parallel models of the human circulatory system. - Amanda Randles; Erik W. Draeger; Tomas Oppelstrup; Liam Krauss; John A. Gunnels (SC, 2015)

Massively parallel simulations of hemodynamics in the primary large arteries of the human vasculature. - Amanda Randles; Erik W. Draeger; Peter E. Bailey (J. Comput. Sci., 2015)

Interactive exploration of atomic trajectories through relative-angle distribution and associated uncertainties. - Harsh Bhatia; Attila Gyulassy; Valerio Pascucci; Martina Bremer; Mitchell T. Ong; Vincenzo Lordi; Erik W. Draeger; John E. Pask; Peer-Timo Bremer (PacificVis, 2016)

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)

Modeling dilute solutions using first-principles molecular dynamics: computing more than a million atoms with over a million cores. - Jean-Luc Fattebert; Daniel Osei-Kuffuor; Erik W. Draeger; Tadashi Ogitsu; William D. Krauss (SC, 2016)

Numerical simulation of a compound capsule in a constricted microchannel. - John Gounley; Erik W. Draeger; Amanda Randles (ICCS, 2017)

Massively parallel first-principles simulation of electron dynamics in materials. - Erik W. Draeger; Xavier Andrade; John A. Gunnels; Abhinav Bhatele; Andre Schleife; Alfredo A. Correa (J. Parallel Distributed Comput., 2017)

Multi-physics simulations of particle tracking in arterial geometries with a scalable moving window algorithm. - Gregory Herschlag; John Gounley; Sayan Roychowdhury; Erik W. Draeger; Amanda Randles (CLUSTER, 2019)

Immersed Boundary Method Halo Exchange in a Hemodynamics Application. - John Gounley; Erik W. Draeger; Amanda Randles (ICCS (1), 2019)

Low-Overhead In Situ Visualization Using Halo Replay. - Jeff Ames; Silvio Rizzi 001; Joseph A. Insley; Saumil Patel; Benjamín Hernández; Erik W. Draeger; Amanda Randles (LDAV, 2019)

Moment representation in the lattice Boltzmann method on massively parallel hardware. - Madhurima Vardhan; John Gounley; Luiz Hegele; Erik W. Draeger; Amanda Randles (SC, 2019)

Multi-GPU immersed boundary method hemodynamics simulations. - Jeff Ames; Daniel F. Puleri; Peter Balogh; John Gounley; Erik W. Draeger; Amanda Randles (J. Comput. Sci., 2020)

Performance Portability in the Exascale Computing Project: Exploration Through a Panel Series. - Anshu Dubey; Lois Curfman McInnes; Rajeev Thakur; Erik W. Draeger; Thomas M. Evans 001; Timothy C. Germann; William E. Hart (Comput. Sci. Eng., 2021)

How community software ecosystems can unlock the potential of exascale computing. - Lois Curfman McInnes; Michael A. Heroux; Erik W. Draeger; Andrew R. Siegel; Susan Coghlan; Katie Antypas (Nat. Comput. Sci., 2021)

High Performance Adaptive Physics Refinement to Enable Large-Scale Tracking of Cancer Cell Trajectory. - Daniel F. Puleri; Sayan Roychowdhury; Peter Balogh; John Gounley; Erik W. Draeger; Jeff Ames; Adebayo Adebiyi; Simbarashe Chidyagwai; Benjamín Hernández; Seyong Lee; Shirley V. Moore; Jeffrey S. Vetter; et al. (CLUSTER, 2022)

Establishing Metrics to Quantify Underlying Structure in Vascular Red Blood Cell Distributions. - Sayan Roychowdhury; Erik W. Draeger; Amanda Randles (ICCS (1), 2022)

A survey of software implementations used by application codes in the Exascale Computing Project. - Thomas M. Evans 001; Andrew R. Siegel; Erik W. Draeger; Jack Deslippe; Marianne M. Francois; Timothy C. Germann; William E. Hart; Daniel F. Martin (Int. J. High Perform. Comput. Appl., 2022)

Propagation Pattern for Moment Representation of the Lattice Boltzmann Method. - John Gounley; Madhurima Vardhan; Erik W. Draeger; Pedro Valero-Lara; Shirley V. Moore; Amanda Randles (IEEE Trans. Parallel Distributed Syst., 2022)

Optimizing Cloud Computing Resource Usage for Hemodynamic Simulation. - William Ladd; Christopher Jensen; Madhurima Vardhan; Jeff Ames; Jeff R. Hammond; Erik W. Draeger; Amanda Randles (IPDPS, 2023)

Low-Cost Post Hoc Reconstruction of HPC Simulations at Full Resolution. - Ayman Z. Yousef; Erik W. Draeger; Amanda Randles (LDAV, 2023)

Enhancing Adaptive Physics Refinement Simulations Through the Addition of Realistic Red Blood Cell Counts. - Sayan Roychowdhury; Samreen T. Mahmud; Aristotle X. Martin; Peter Balogh; Daniel F. Puleri; John Gounley; Erik W. Draeger; Amanda Randles (SC, 2023)

Cloud Computing to Enable Wearable-Driven Longitudinal Hemodynamic Maps. - Cyrus Tanade; Emily Rakestraw; William Ladd; Erik W. Draeger; Amanda Randles (SC, 2023)

Strengthening the US Department of Energy's Recruitment Pipeline: The DOE/NNSA Predictive Science Academic Alliance Program (PSAAP) Experience. - John K. Holmen; Verónica G. Vergara Larrea; Erik W. Draeger; Eric T. Phipps; Philip J. Smith; Martin Berzins; Sean T. Smith; Jeremy N. Thornock; Suzanne Parete-Koon (PEARC, 2023)

Exascale Was Not Inevitable; Neither Is What Comes Next. - Erik W. Draeger; Andrew R. Siegel (Comput. Sci. Eng., 2023)

Establishing metrics to quantify spatial similarity in spherical and red blood cell distributions. - Sayan Roychowdhury; Erik W. Draeger; Amanda Randles (J. Comput. Sci., 2023)

Designing a GPU-Accelerated Communication Layer for Efficient Fluid-Structure Interaction Computations on Heterogeneous Systems. - Aristotle X. Martin; Geng Liu; Bálint Joó; Runxin Wu; Mohammed Shihab Kabir; Erik W. Draeger; Amanda Randles (SC, 2024)

The Scientific Impact of the Exascale Computing Project. - Erik W. Draeger; Andrew R. Siegel; Steven Gottlieb (Comput. Sci. Eng., 2024)

Establishing the longitudinal hemodynamic mapping framework for wearable-driven coronary digital twins. - Cyrus Tanade; Nusrat Sadia Khan; Emily Rakestraw; William Ladd; Erik W. Draeger; Amanda Randles (npj Digit. Medicine, 2024)

A Unifying Framework to Enable Artificial Intelligence in High-Performance Computing Workflows. - Jens Domke; Mohamed Wahib; Anshu Dubey; Tal Ben-Nun; Erik W. Draeger (Comput. Sci. Eng., 2025)