Publications
- Role of Copper in the formation of Carbon during Direct synthesis of Methylchlorosilanes
- Toward Understanding the Formation of Coke during the MCS Reaction: A Theoretical Approach
- Toward a Unified Description of Battery Data Read publication
- Reactivity of HCl at the Si(100)-c(4x2) reconstructed surface: a DFT study.
- Structure, hydration, and chloride ingress in C-S-H: Insight from DFT calculations Read publication
- Documentation on “Design and Implementation of metadata schema for syntactic and semantic interoperability”
- Comparing electrochemical perormance of transition metal silicate cathodes and chevrel phase Mo6S8 in the analogous rechargeable Mg-ion battery system Read publication
- Rietveld analysis of computed tomography and its application to methanol to olefin reactor beds Read publication
- Detailed Reaction Paths for Zeolite Dealumination and Desilication From Density Functional Calculations
- Assessing the surface sites of the large pore 3-dimensional microporous material H-ITQ-7 using FT-IR spectroscopy and molecular probes
Other
- Ontology-driven semantic interoperability in practice
- Hydrogen activation through frustrated Lewis pairs: A quantum chemical perspective.
- Hydrogen activation through frustrated Lewis pairs: A quantum chemical perspective.
- Understanding the interaction of CH3Cl with Cu-based surfaces
- European recommendations for explainable-AI-ready data in materials modelling and characterization
- Interoperability enabled by data documentation
- Making scientific data available for AI
- A technology stack for semantic interoperability
- Demonstrating interoperability based on data documentation and ontologies
- Use of ontologies for data documentation and semantic interoperability