| 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 | 620 | 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 | 231 | 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 | 170 | 2018 |
| 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 | 128 | 2012 |
| 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 | 125 | 2006 |
| 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 | 114 | 2020 |
| Superfluidity in a doped helium droplet EW Draeger, DM Ceperley Physical review letters 90 (6), 065301, 2003 | 109 | 2003 |
| 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 | 101 | 2016 |
| 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 | 74 | 2017 |
| 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 | 72 | 2015 |
| 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 | 71 | 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 | 69 | 2005 |
| 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 | 56 | 2014 |
| 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 | 55 | 2015 |
| 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 | 55 | 2004 |
| 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 | 53 | 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 | 49 | 2013 |
| Debye-Waller factor in solid and EW Draeger, DM Ceperley Physical Review B 61 (18), 12094, 2000 | 48 | 2000 |
| 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 | 41 | 2020 |
| 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 | 40 | 2009 |