Erik W Draeger

Phone: 925-423-3650

Dr. Erik Draeger is a computer scientist in the Center for Applied Scientific Computing, specializing in scalable scientific applications.  He is the lead developer of the LLNL qball branch of the open source Qbox code, a massively parallel first-principles molecular dynamics code originally written by Francois Gygi.  Dr. Gygi and Dr. Draeger won the 2006 Gordon Bell award for sustained floating point performance on the Blue Gene/L supercomputer.  Dr. Draeger also co-developed the Cardioid cardiac electrophysiology code, a highly scalable biology application used to model arrhythmias in human heart geometries at near-real time.  Dr. Draeger also works on the ddcMD classical molecular dynamics code, used to study fluid and shock dynamics of metallic systems at extreme conditions.

He earned a Bachelor's degree in Physics from the University of California, Berkeley in 1995 and later earned a Master's and a Ph.D. in theoretical condensed matter physics from the University of Illinois, Urbana-Champaign in 2001, working with Professor David Ceperley on path integral Monte Carlo simulations of superfluid helium droplets and surfaces.

Selected Publications

A. Randles, E.W. Draeger, and P.E. Bailey. "Massively Parallel Simulations of Hemodynamics in the Human Vasculature." Journal of Computational Science 9, 70-75 (2015).  (Best Paper Winner, ICCS 2015)

M. T. Ong, O. Verners, et al.  "Lithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First-Principles and Classical Reactive Molecular Dynamics", J. Phys. Chem. B 115, 1535-1545 (2015).

A. Schleife, E. W. Draeger, et al. "Quantum Dynamics Simulation of Electrons in Materials on High-Performance Computers", Computing in Science & Engineering, 16 (5), 54-60, (2014).

D. F. Richards, J. N. Glosli, et al.  “Towards real-time simulation of cardiac electrophysiology in a human heart at high resolution”, Computer Methods in Biomechanics and Biomedical Engineering 16, 802 (2013).

A. A. Mirin, D. F. Richards, et al.“Toward real-time modeling of human heart ventricles at cellular resolution: simulation of drug-induced arrhythmias”, Proceedings of the ACM/IEEE Supercomputing 2012 Conference.  Gordon Bell Award Finalist.

A. Bhatele, T. Gamblin, et al., “Mapping applications with collectives over sub-communicators on torus networks”, Proceedings of the ACM/IEEE Supercomputing 2012 Conference.

A. Schleife, E. W. Draeger, et al., “Plane-wave pseudopotential implementation of explicit integrators for time-dependent Kohn-Sham equations in large-scale simulations”, J. Chem. Phys. 137, 22A546 (2012).

B. R. de Supinski , M. Schultz, E. W. Draeger, "Flexible Tools Supporting a Scalable First-Principles MD Code" in Scientific Computer Performance, David H. Bailey, Robert F. Lucas and Samuel Williams, editors, Taylor and Francis, New York, 2010

D. F. Richards, J. N. Glosli, et al., “Beyond Homogeneous Decomposition: Scaling Long-Range Forces on Massively Parallel Architectures”, Proceedings of the ACM/IEEE Supercomputing 2009 Conference.  Gordon Bell award finalist.

B. de Supinski, M. Schultz, et al., “BlueGene/L Applications: Parallelism on a Massive Scale”, Int. J. High Perform C. 22, 33 (2008).

François Gygi, Erik W. Draeger, et al., “Large-Scale Electronic Structure Calculations of High-Z Metals on the BlueGene/L Platform”, Proceedings of the ACM/IEEE Supercomputing 2006 Conference.  Gordon Bell award winner. 

François Gygi, Erik W. Draeger, et al., “Large-Scale First-Principles Molecular Dynamics Simulations on the BlueGene/L Platform using the Qbox Code”, Proceedings of the ACM/IEEE Supercomputing 2005 Conference.  Gordon Bell award finalist.