Publications
- Materials Informatics Across the Length Scales
- CO2 Utilization through Reaction with Alcohols: A Quantum Chemical Study Read the publication
- Evaluation of Density Functionals for Si–O–C–H Molecule Thermochemistry Read the publication
- Formation of dimethyldichlorosilane (M2) in the Müller-Rochow process at the molecular level Read the publication
- Materials science and ontologies Read the publication
- (Digital Presentation) A Battery Interface Ontology for Data Interoperability and Semantic Knowledge Representation
- Toward Understanding the Formation of Coke during the MCS Reaction: A Theoretical Approach
- Role of Copper in the formation of Carbon during Direct synthesis of Methylchlorosilanes
- Toward a Unified Description of Battery Data Read the publication
- Reactivity of HCl at the Si(100)-c(4x2) reconstructed surface: a DFT study.
Other
- Digital knowledge exchange in physical metallurgy
- FAIR Materials Knowledge in DPPs
- Possible mechanisms for organic carbonates from CO2 capture.
- CO2 Utilization Through Reaction with Alcohols: A Computational Mechanistic Study.
- Creating a platform to investigate a dynamic semi-catalyst
- Materials characterization - Terminology and structured documentation
- Digital representation of physical metallurgical knowledge
- Going digital to boost safe and sustainable materials innovation markets. The digital safe-and-sustainability-by-design innovation approach of the PINK project
- Modular workflow components by FAIR input and output
- Semantic data documentation for FAIR data