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pro vyhledávání: '"Horsch, Martin"'
This open access book discusses advances in semantic interoperability for materials modelling, aiming at integrating data obtained from different methods and sources into common frameworks, and facilitating the development of platforms where simulati
Externí odkaz:
https://library.oapen.org/handle/20.500.12657/48273
Autor:
Horsch, Martin Thomas, Chiacchiera, Silvia, Schembera, Björn, Seaton, Michael A., Todorov, Ilian T.
The European Materials and Modelling Ontology (EMMO) has recently been advanced in the computational molecular engineering and multiscale modelling communities as a top-level ontology, aiming to support semantic interoperability and data integration
Externí odkaz:
http://arxiv.org/abs/2003.11370
Autor:
Horsch, Martin Thomas, Chiacchiera, Silvia, Bami, Youness, Schmitz, Georg J., Mogni, Gabriele, Goldbeck, Gerhard, Ghedini, Emanuele
The European Materials and Modelling Ontology (EMMO) is a top-level ontology designed by the European Materials Modelling Council to facilitate semantic interoperability between platforms, models, and tools in computational molecular engineering, int
Externí odkaz:
http://arxiv.org/abs/2001.04175
Autor:
Horsch, Martin Thomas, Chiacchiera, Silvia, Seaton, Michael A., Todorov, Ilian T., Šindelka, Karel, Lísal, Martin, Andreon, Barbara, Kaiser, Esteban Bayro, Mogni, Gabriele, Goldbeck, Gerhard, Kunze, Ralf, Summer, Georg, Fiseni, Andreas, Brüning, Hauke, Schiffels, Peter, Cavalcanti, Welchy Leite
The Virtual Materials Marketplace (VIMMP) project, which develops an open platform for providing and accessing services related to materials modelling, is presented with a focus on its ontology development and data technology aspects. Within VIMMP, a
Externí odkaz:
http://arxiv.org/abs/1912.01519
Publikováno v:
Molecular Simulation, doi: 10.1080/08927022.2019.1601191, 2019
The MolMod database is presented, which is openly accessible at http://molmod.boltzmann-zuse.de/ and contains presently intermolecular force fields for over 150 pure fluids. It was developed and is maintained by the Boltzmann-Zuse Society for Computa
Externí odkaz:
http://arxiv.org/abs/1904.05206
Autor:
Horsch, Martin Thomas, Becker, Stefan, Heier, Michaela, Singh, Jayant Kumar, Diewald, Felix, Müller, Ralf, Jackson, George, Vrabec, Jadran, Hasse, Hans
In manuscript arXiv:1703.08719 [cond-mat.soft], it was claimed that the well-known deduction of Tolman's law is not rigorous, since Tolman's argument implies that two different definitions of the surface tension, called $\gamma$ and $\bar\gamma$ in t
Externí odkaz:
http://arxiv.org/abs/1703.08719
Autor:
McGraw, Joshua D., Klos, Mischa, Bridet, Antoine, Hähl, Hendrik, Paulus, Michael, Castillo, Juan Manuel, Horsch, Martin, Jacobs, Karin
Alkylsilane self-assembled monolayers (SAMs) are often used as model substrates for their ease of preparation and hydrophobic properties. We have observed that these atomically smooth monolayers also provide a slip boundary condition for dewetting fi
Externí odkaz:
http://arxiv.org/abs/1611.10067