Zobrazeno 1 - 10
of 137
pro vyhledávání: '"Deslippe, Jack"'
Autor:
Barker, Bradford A., Deslippe, Jack, Lischner, Johannes, Jain, Manish, Yazyev, Oleg V., Strubbe, David A., Louie, Steven G.
Publikováno v:
Phys. Rev. B 106, 115127 (2022)
Computing the $GW$ quasiparticle bandstructure and Bethe-Salpeter Equation (BSE) absorption spectra for materials with spin-orbit coupling has commonly been done by treating $GW$ corrections and spin-orbit coupling as separate perturbations to densit
Externí odkaz:
http://arxiv.org/abs/2206.00808
Autor:
Rowan, Michael E., Huebl, Axel, Gott, Kevin N., Deslippe, Jack, Thévenet, Maxence, Lehe, Remi, Vay, Jean-Luc
Publikováno v:
PASC 2021: Proceedings of the Platform for Advanced Scientific Computing Conference
Maintaining computational load balance is important to the performant behavior of codes which operate under a distributed computing model. This is especially true for GPU architectures, which can suffer from memory oversubscription if improperly load
Externí odkaz:
http://arxiv.org/abs/2104.11385
Autor:
Gayatri, Rahulkumar, Moore, Stan, Weinberg, Evan, Lubbers, Nicholas, Anderson, Sarah, Deslippe, Jack, Perez, Danny, Thompson, Aidan P.
The exascale race is at an end with the announcement of the Aurora and Frontier machines. This next generation of supercomputers utilize diverse hardware architectures to achieve their compute performance, providing an added onus on the performance p
Externí odkaz:
http://arxiv.org/abs/2011.12875
An image dataset of 10 different size molecules, where each molecule has 2,000 structural variants, is generated from the 2D cross-sectional projection of Molecular Dynamics trajectories. The purpose of this dataset is to provide a benchmark dataset
Externí odkaz:
http://arxiv.org/abs/1911.07644
Autor:
Rangel, Tonatiuh, Del Ben, Mauro, Varsano, Daniele, Antonius, Gabriel, Bruneval, Fabien, da Jornada, Felipe H., van Setten, Michiel J., Orhan, Okan K., O'Regan, David D., Canning, Andrew, Ferretti, Andrea, Marini, Andrea, Rignanese, Gian-Marco, Deslippe, Jack, Louie, Steven G., Neaton, Jeffrey B.
Publikováno v:
Comput. Phys. Commun. 255, 107242 (2020)
Ab initio many-body perturbation theory within the $GW$ approximation is a Green's function formalism widely used in the calculation of quasiparticle excitation energies of solids. In what has become an increasingly standard approach, Kohn-Sham eigen
Externí odkaz:
http://arxiv.org/abs/1903.06865
Autor:
Kurth, Thorsten, Treichler, Sean, Romero, Joshua, Mudigonda, Mayur, Luehr, Nathan, Phillips, Everett, Mahesh, Ankur, Matheson, Michael, Deslippe, Jack, Fatica, Massimiliano, Prabhat, Houston, Michael
We extract pixel-level masks of extreme weather patterns using variants of Tiramisu and DeepLabv3+ neural networks. We describe improvements to the software frameworks, input pipeline, and the network training algorithms necessary to efficiently scal
Externí odkaz:
http://arxiv.org/abs/1810.01993
Autor:
Friesen, Brian, Patwary, Md. Mostofa Ali, Austin, Brian, Satish, Nadathur, Slepian, Zachary, Sundaram, Narayanan, Bard, Deborah, Eisenstein, Daniel J, Deslippe, Jack, Dubey, Pradeep, Prabhat
The nature of dark energy and the complete theory of gravity are two central questions currently facing cosmology. A vital tool for addressing them is the 3-point correlation function (3PCF), which probes deviations from a spatially random distributi
Externí odkaz:
http://arxiv.org/abs/1709.00086
Autor:
Kurth, Thorsten, Zhang, Jian, Satish, Nadathur, Mitliagkas, Ioannis, Racah, Evan, Patwary, Mostofa Ali, Malas, Tareq, Sundaram, Narayanan, Bhimji, Wahid, Smorkalov, Mikhail, Deslippe, Jack, Shiryaev, Mikhail, Sridharan, Srinivas, Prabhat, Dubey, Pradeep
This paper presents the first, 15-PetaFLOP Deep Learning system for solving scientific pattern classification problems on contemporary HPC architectures. We develop supervised convolutional architectures for discriminating signals in high-energy phys
Externí odkaz:
http://arxiv.org/abs/1708.05256
Autor:
Alexander, Francis, Almgren, Ann, Bell, John, Bhattacharjee, Amitava, Chen, Jacqueline, Colella, Phil, Daniel, David, DeSlippe, Jack, Diachin, Lori, Draeger, Erik, Dubey, Anshu, Dunning, Thom, Evans, Thomas, Foster, Ian, Francois, Marianne, Germann, Tim, Gordon, Mark, Habib, Salman, Halappanavar, Mahantesh, Hamilton, Steven, Hart, William, Huang, Zhenyu (Henry), Hungerford, Aimee, Kasen, Daniel, Kent, Paul R. C., Kolev, Tzanio, Kothe, Douglas B., Kronfeld, Andreas, Luo, Ye, Mackenzie, Paul, McCallen, David, Messer, Bronson, Mniszewski, Sue, Oehmen, Chris, Perazzo, Amedeo, Perez, Danny, Richards, David, Rider, William J., Rieben, Rob, Roche, Kenneth, Siegel, Andrew, Sprague, Michael, Steefel, Carl, Stevens, Rick, Syamlal, Madhava, Taylor, Mark, Turner, John, Vay, Jean-Luc, Voter, Artur F., Windus, Theresa L., Yelick, Katherine
Publikováno v:
Philosophical Transactions: Mathematical, Physical and Engineering Sciences, 2020 Mar 01. 378(2166), 1-31.
Externí odkaz:
https://www.jstor.org/stable/26917452
Publikováno v:
SIAM Journal on Matrix Analysis and Applications, 39(2):683--711, 2018
We present a new structure preserving Lanczos algorithm for approximating the optical absorption spectrum in the context of solving full Bethe--Salpeter equation without Tamm--Dancoff approximation. The new algorithm is based on a structure preservin
Externí odkaz:
http://arxiv.org/abs/1611.02348