Keywords:
- Materials
- Heterogeneous
- Computation
- Multiscale
Expertise:
Experienced in materials and catalytic modelling for a range of both homo- and hetero-geneous reactions using state-of-the-art multiscale techniques. Particular interests in mechanistic aspects of reactions: i) active site structure and influence on mechanisms ii) role of defects and impurities towards improving reactivity iii) understanding the effects of extended reaction environment (ligands, solvation) on mechanistic pathways.
Contact:
Website: https://www.cardiff.ac.uk/people/view/481607-logsdail-andrew