Zobrazeno 1 - 10
of 32
pro vyhledávání: '"W. Michael Brown"'
Autor:
Ray Shan, Julien Tranchida, Christian Robert Trott, Mark J. Stevens, Aidan P. Thompson, Richard A. Berger, Steven J. Plimpton, H. Metin Aktulga, Trung Dac Nguyen, Pieter J. in 't Veld, Axel Kohlmeyer, W. Michael Brown, Dan S. Bolintineanu, Paul Stewart Crozier, Stan Gerald Moore
Publikováno v:
Computer Physics Communications. 271:108171
Since the classical molecular dynamics simulator LAMMPS was released as an open source code in 2004, it has become a widely-used tool for particle-based modeling of materials at length scales ranging from atomic to mesoscale to continuum. Reasons for
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::66687824716ae0e2d47b94c559e181c4
https://doi.org/10.1016/j.cpc.2021.108171
https://doi.org/10.1016/j.cpc.2021.108171
Autor:
Nitin Gavhane, Steven J. Plimpton, Jan-Michael Y. Carrillo, W. Michael Brown, Foram M. Thakkar
Publikováno v:
Computer Physics Communications. 195:95-101
The directive-based programming models are one solution for exploiting many-core coprocessors to increase simulation rates in molecular dynamics. They offer the potential to reduce code complexity with offload models that can selectively target compu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7e394be9f1f1ff1e36d898dd2be0e74f
https://doi.org/10.1016/j.cpc.2015.05.004
https://doi.org/10.1016/j.cpc.2015.05.004
Publikováno v:
Concurrency and Computation: Practice and Experience. 27:4763-4783
The growth in size of networked high performance computers along with novel accelerator-based node architectures has further emphasized the importance of communication efficiency in high performance computing. The world's largest high performance com
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b6eceb6fec95078ef5be612e4d159c7c
https://doi.org/10.1002/cpe.3457
https://doi.org/10.1002/cpe.3457
Autor:
W. Michael Brown, Masako Yamada
Publikováno v:
Computer Physics Communications. 184:2785-2793
The use of coprocessors or accelerators such as graphics processing units (GPUs) has become popular in scientific computing applications due to their low cost, impressive floating-point capabilities, high memory bandwidth, and low electrical power re
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0e2e3113815da86eda0ed598e08e25fc
https://doi.org/10.1016/j.cpc.2013.08.002
https://doi.org/10.1016/j.cpc.2013.08.002
Autor:
Deanna L. Pickel, Juan Pablo Hinestrosa, Changwoo Do, Bobby G. Sumpter, Suk-kyun Ahn, W. Michael Brown, David Uhrig, Jamie M. Messman, Jihua Chen, Jan-Michael Y. Carrillo, Ming Shao, S. Michael Kilbey, W. Michael Kochemba
Publikováno v:
ACS Macro Letters. 2:761-765
We report a facile synthetic strategy based on a grafting through approach to prepare well-defined molecular bottlebrushes composed of regioregular poly(3-hexylthiophene) (rr-P3HT) as the conjugated polymeric side chain. To this end, the exo-norborne
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::02180552e6939ffe645a4e59ac05c8fe
https://doi.org/10.1021/mz4003563
https://doi.org/10.1021/mz4003563
Autor:
W. Michael Brown, Andrey Semin, Michael Hebenstreit, Sergey Khvostov, Karthik Raman, Steven J. Plimpton
Publikováno v:
SC16: International Conference for High Performance Computing, Networking, Storage and Analysis.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::32c8362b8543bd2b23ab6907d4f78e5d
https://doi.org/10.1109/sc.2016.7
https://doi.org/10.1109/sc.2016.7
Publikováno v:
Journal of Chemical Theory and Computation. 9:73-83
Numerous issues have disrupted the trend for increasing computational performance with faster CPU clock frequencies. In order to exploit the potential performance of new computers, it is becoming increasingly desirable to re-evaluate computational ph
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3442fe2bc148f82cdb925c3eaea0a934
https://doi.org/10.1021/ct300718x
https://doi.org/10.1021/ct300718x
Publikováno v:
Macromolecules. 45:8880-8891
We study friction between charged and neutral brush layers of bottle-brush macromolecules using molecular dynamics simulations. In our simulations the solvent molecules were treated explicitly. The deformation of the bottle-brush macromolecules under
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e4e5252cff04bd4ae3a44a64b15aacaa
https://doi.org/10.1021/ma3015849
https://doi.org/10.1021/ma3015849
Publikováno v:
Computer Physics Communications. 183:449-459
The use of accelerators such as graphics processing units (GPUs) has become popular in scientific computing applications due to their low cost, impressive floating-point capabilities, high memory bandwidth, and low electrical power requirements. Hybr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b3075420d7bb79119e2e19a16b1f7e44
https://doi.org/10.1016/j.cpc.2011.10.012
https://doi.org/10.1016/j.cpc.2011.10.012
Autor:
Arthur S. Bland, Miguel Fuentes-Cabrera, Philip D. Rack, Trung Dac Nguyen, Mark Berger, Jason D. Fowlkes, W. Michael Brown
Publikováno v:
ICCS
For many years, the drive towards computational physics studies that match the size and time-scales of experiment has been fueled by increases in processor and interconnect performance that could be exploited with relatively little modification to ex
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2f3fb48d13127fd37b70a6d3fd07ae01