Pharmaceutical manufacturing is evolving from traditional batch processes to continuous
ones. The new global competition focused on throughput and quality of drug products is …

In this work we developed an open-source work-flow for the construction of data-driven
models from a wide Computational Fluid Dynamics (CFD) simulations campaign. We …

In the materials design domain, much of the data from materials calculations are stored in
different heterogeneous databases. Materials databases usually have different data models …

Introduction: Significant progress has been made in terms of best practice in research data
management for nanosafety. Some of the underlying approaches to date are, however …

A generalized data scheme for transferable classical force fields used in molecular
simulations, ie molecular dynamics and Monte Carlo simulation, is presented. The data …

Material information, such as properties and indicators, is essential for building performance
assessment. The interoperability between applications and the harmonisation of data …

In this work we present a method to investigate the breakup of filler agglomerates in an
internal mixer during a compounding operation. The method employs computational fluid …

Security critical AI applications require a standardized and interoperable data and metadata
documentation that makes the source data explainable-AI ready (XAIR). Within the domain …

The European Materials and Modelling Ontology (EMMO) has recently been advanced in
the computational molecular engineering and multiscale modelling communities as a top …

This open access book discusses advances in semantic interoperability for materials
modelling, aiming at integrating data obtained from different methods and sources into …