Zobrazeno 1 - 10
of 50
pro vyhledávání: '"Rutkai, Gabor"'
Publikováno v:
Molecular Physics 112 (17): 2227-2234 (2014)
A slab based long range correction approach for multi-site Lennard-Jones models is presented for systems with a planar film geometry that is based on the work by Janecek, J. Phys. Chem. B 110: 6264 (2006). It is efficient because it relies on a cente
Externí odkaz:
http://arxiv.org/abs/1507.07130
Autor:
Glass, Colin W., Reiser, Steffen, Rutkai, Gábor, Deublein, Stephan, Köster, Andreas, Carrión, Gabriela Guevara, Wafai, Amer, Horsch, Martin, Bernreuther, Martin F., Windmann, Thorsten, Hasse, Hans, Vrabec, Jadran
Publikováno v:
Computer Physics Communications 185 (12): 3302-3306 (2014)
A new version release (2.0) of the molecular simulation tool ms2 [S. Deublein et al., Comput. Phys. Commun. 182 (2011) 2350] is presented. Version 2.0 of ms2 features a hybrid parallelization based on MPI and OpenMP for molecular dynamics simulation
Externí odkaz:
http://arxiv.org/abs/1507.07548
Publikováno v:
In Computational Materials Science 15 February 2018 143:118-125
Autor:
Rutkai, Gábor, Köster, Andreas, Guevara-Carrion, Gabriela, Janzen, Tatjana, Schappals, Michael, Glass, Colin W., Bernreuther, Martin, Wafai, Amer, Stephan, Simon, Kohns, Maximilian, Reiser, Steffen, Deublein, Stephan, Horsch, Martin, Hasse, Hans, Vrabec, Jadran
Publikováno v:
In Computer Physics Communications December 2017 221:343-351
Publikováno v:
In Fluid Phase Equilibria 15 October 2016 425:84-92
Publikováno v:
In Chemical Engineering Science 6 January 2015 121:87-99
Publikováno v:
In Journal of Colloid And Interface Science 2009 334(1):65-69
Publikováno v:
In Microporous and Mesoporous Materials 2008 114(1):455-464