Zobrazeno 1 - 10
of 75
pro vyhledávání: '"Axel Kohlmeyer"'
Publikováno v:
Angewandte Chemie. International Edition; September 2004, Vol. 43 Issue: 36 p4804-4807, 4p
Publikováno v:
Angewandte Chemie; Sep2004, Vol. 116 Issue 36, p4908-4911, 4p
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
Publikováno v:
Angewandte Chemie International Edition; Sep2004, Vol. 43 Issue 36, p4804-4807, 4p
Publikováno v:
Journal of Electric Propulsion; 10/14/2024, Vol. 3 Issue 1, p1-6, 6p
Publikováno v:
Journal of Chemical Information and Modeling. 56:1112-1116
Molecular dynamics (MD) simulation engines use a variety of different approaches for modeling molecular systems with force fields that govern their dynamics and describe their topology. These different approaches introduce incompatibilities between e
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::43088b0ac6393eaa049a15b4020d6a03
https://doi.org/10.1021/acs.jcim.6b00103
https://doi.org/10.1021/acs.jcim.6b00103
Publikováno v:
Powder Technology. 278:234-247
This work presents our efforts to implement an MPI/OpenMP hybrid parallelization of the LIGGGHTS open-source software package for Discrete Element Methods (DEM). We outline the problems encountered and the solutions implemented to achieve scalable pe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f14e6abaf36ec4cc0d8da3dcb7065e9a
https://doi.org/10.1016/j.powtec.2015.03.019
https://doi.org/10.1016/j.powtec.2015.03.019
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
Publikováno v:
Journal of Computational Physics. 230:3556-3569
The calculation of radial distribution functions (RDFs) from molecular dynamics trajectory data is a common and computationally expensive analysis task. The rate limiting step in the calculation of the RDF is building a histogram of the distance betw
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::310382c1e8ace22c738ecf78711b2ed2
https://doi.org/10.1016/j.jcp.2011.01.048
https://doi.org/10.1016/j.jcp.2011.01.048
Autor:
Mora-Barzaga, Geraudys1, Urbassek, Herbert M.2 urbassek@rhrk.uni-kl.de, Deluigi, Orlando R.1, Pasinetti, P. Marcelo3, Bringa, Eduardo M.1,4
Publikováno v:
Scientific Reports. 9/4/2024, Vol. 14 Issue 1, p1-17. 17p.