Mr Oscar Van Vuren
(he/him)
Teams and roles for Oscar Van Vuren
Graduate Demonstrator
Research student
Overview
I am a PhD student working in the Theory and Molecular Modelling at the Cardiff Catalysis Institute (tamm@CCI) research group of Dr Andrew Logsdail. The focus of my work is on methodological developments in materials research, with particular attention paid to multiscale embedding methods in this field. To achieve this, I actively develop the codes FHI-aims and ChemShell, collaborating with development teams across the globe.
Publication
2025
- Bramley, G., van Vuren, O. and Logsdail, A. J. 2025. A computational study of the formation of surface methoxy species in H-SSZ-13 and H-SAPO-34 frameworks. Physical Chemistry Chemical Physics 27(24), pp. 12996-13010. (10.1039/D5CP00256G)
Articles
- Bramley, G., van Vuren, O. and Logsdail, A. J. 2025. A computational study of the formation of surface methoxy species in H-SSZ-13 and H-SAPO-34 frameworks. Physical Chemistry Chemical Physics 27(24), pp. 12996-13010. (10.1039/D5CP00256G)
Contact Details
VanVurenO@cardiff.ac.uk
Translational Research Hub, Room 0.06, Maindy Road, Cathays, Cardiff, CF24 4HQ
Translational Research Hub, Room 0.06, Maindy Road, Cathays, Cardiff, CF24 4HQ
Research themes
Specialisms
- Computational chemistry
- Materials modelling
- Condensed matter modelling and density functional theory