81 citations · 380 across the 17 of their papers we have counts for
19 papers
Polarisable soft solvent models with applications in dissipative particle dynamics
Silvia Chiacchiera, Patrick B. Warren, Andrew J. Masters +1
We critically examine a broad class of explicitly polarisable soft solvent models aimed at applications in dissipative particle dynamics. We obtain the dielectric permittivity usin…
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…
Detecting composite orders in layered models via machine learning
W. Rzadkowski, N. Defenu, S. Chiacchiera +2
Determining the phase diagram of systems consisting of smaller subsystems 'connected' via a tunable coupling is a challenging task relevant for a variety of physical settings. A ge…