Erik W. Draeger
Erik W. Draeger
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Towards an assessment of the accuracy of density functional theory for first principles simulations of water
JC Grossman, E Schwegler, EW Draeger, F Gygi, G Galli
The Journal of chemical physics 120 (1), 300-311, 2004
Lithium ion solvation and diffusion in bulk organic electrolytes from first-principles and classical reactive molecular dynamics
MT Ong, O Verners, EW Draeger, ACT Van Duin, V Lordi, JE Pask
The Journal of Physical Chemistry B 119 (4), 1535-1545, 2015
Breaking the 49-qubit barrier in the simulation of quantum circuits
E Pednault, JA Gunnels, G Nannicini, L Haoresh, T Magerlein, ...
Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States), 2018
Large-scale electronic structure calculations of high-Z metals on the BlueGene/L platform
F Gygi, EW Draeger, M Schulz, BR De Supinski, JA Gunnels, V Austel, ...
Proceedings of the 2006 ACM/IEEE conference on Supercomputing, 45-es, 2006
Plane-wave pseudopotential implementation of explicit integrators for time-dependent Kohn-Sham equations in large-scale simulations
A Schleife, EW Draeger, Y Kanai, AA Correa
The Journal of chemical physics 137 (22), 2012
Superfluidity in a doped helium droplet
EW Draeger, DM Ceperley
Physical review letters 90 (6), 065301, 2003
Exascale applications: skin in the game
F Alexander, A Almgren, J Bell, A Bhattacharjee, J Chen, P Colella, ...
Philosophical Transactions of the Royal Society A 378 (2166), 20190056, 2020
Electron elevator: excitations across the band gap via a dynamical gap state
A Lim, WMC Foulkes, AP Horsfield, DR Mason, A Schleife, EW Draeger, ...
Physical review letters 116 (4), 043201, 2016
Influence of Synthesis Conditions on the Structural and Optical Properties<? format?> of Passivated Silicon Nanoclusters
EW Draeger, JC Grossman, AJ Williamson, G Galli
Physical review letters 90 (16), 167402, 2003
Large-scale first-principles molecular dynamics simulations on the bluegene/l platform using the qbox code
F Gygi, RK Yates, J Lorenz, EW Draeger, F Franchetti, CW Ueberhuber, ...
SC'05: Proceedings of the 2005 ACM/IEEE Conference on Supercomputing, 24-24, 2005
Massively parallel models of the human circulatory system
A Randles, EW Draeger, T Oppelstrup, L Krauss, JA Gunnels
Proceedings of the International Conference for High Performance Computing …, 2015
Massively parallel first-principles simulation of electron dynamics in materials
EW Draeger, X Andrade, JA Gunnels, A Bhatele, A Schleife, AA Correa
Journal of Parallel and Distributed Computing 106, 205-214, 2017
Quantum dynamics simulation of electrons in materials on high-performance computers
A Schleife, EW Draeger, VM Anisimov, AA Correa, Y Kanai
Computing in Science & Engineering 16 (5), 54-60, 2014
Optical properties of passivated silicon nanoclusters: The role of synthesis
EW Draeger, JC Grossman, AJ Williamson, G Galli
The Journal of chemical physics 120 (22), 10807-10814, 2004
Massively parallel simulations of hemodynamics in the primary large arteries of the human vasculature
A Randles, EW Draeger, PE Bailey
Journal of computational science 9, 70-75, 2015
Warm dense matter created by isochoric laser heating
Y Ping, AA Correa, T Ogitsu, E Draeger, E Schwegler, T Ao, K Widmann, ...
High Energy Density Physics 6 (2), 246-257, 2010
Towards real-time simulation of cardiac electrophysiology in a human heart at high resolution
DF Richards, JN Glosli, EW Draeger, AA Mirin, B Chan, J Fattebert, ...
Computer methods in biomechanics and biomedical engineering 16 (7), 802-805, 2013
Debye-Waller factor in solid and
EW Draeger, DM Ceperley
Physical Review B 61 (18), 12094, 2000
Beyond homogeneous decomposition: scaling long-range forces on massively parallel systems
DF Richards, JN Glosli, B Chan, MR Dorr, EW Draeger, JL Fattebert, ...
Proceedings of the Conference on High Performance Computing Networking …, 2009
Multi-GPU immersed boundary method hemodynamics simulations
J Ames, DF Puleri, P Balogh, J Gounley, EW Draeger, A Randles
Journal of computational science 44, 101153, 2020
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