106 citations · 672 across the 28 of their papers we have counts for
34 papers
RFBniCS: An open-source simulation framework for redox flow batteries
Amirhossein Aghabarari, Jørgen S. Dokken, Martin T. Horsch +2
We present RFBniCS, an open-source finite-element framework implemented in FEniCSx for simulating redox-flow-battery (RFB) half-cells. RFBniCS solves an established macro-homogeneo…
Semantic interoperability based on the European Materials and Modelling Ontology and its ontological paradigm: Mereosemiotics
Martin Thomas Horsch, Silvia Chiacchiera, Björn Schembera +2
The European Materials and Modelling Ontology (EMMO) has recently been advanced in the computational molecular engineering and multiscale modelling communities as a top-level ontol…
Reliable and interoperable computational molecular engineering: 2. Semantic interoperability based on the European Materials and Modelling Ontology
Martin Thomas Horsch, Silvia Chiacchiera, Youness Bami +4
The European Materials and Modelling Ontology (EMMO) is a top-level ontology designed by the European Materials Modelling Council to facilitate semantic interoperability between pl…
Ontologies for the Virtual Materials Marketplace
Martin Thomas Horsch, Silvia Chiacchiera, Michael A. Seaton +13
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…
Semantic interoperability and characterization of data provenance in computational molecular engineering
M. T. Horsch, C. Niethammer, G. Boccardo +11
By introducing a common representational system for metadata that describe the employed simulation workflows, diverse sources of data and platforms in computational molecular engin…
MolMod: An open access database of force fields for molecular simulations of fluids
Simon Stephan, Martin Thomas Horsch, Jadran Vrabec +1
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…