Professor Nora De Leeuw
Projects as PI
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- Integrated computational solutions for catalysis (01/04/2015 - 30/11/2019)
- Modelling composition-solubility relationships in bio-active phosphate glasses (01/01/2015 - 30/09/2015)
- Modelling radiation effects in complex materials for nuclear energy applications (01/01/2015 - 30/06/2016)
- Novel copper-based materials for solar energy applications (01/12/2017 - 31/03/2018)
- Nucleation and growth of iron sulphides: Linking theory and experiment (01/01/2015 - 30/06/2016)
Projects as Co-Investigator
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- A computational study exploring the molecular basis of anaesthesia (02/04/2018 - 31/03/2022)
- Computational Nano-materials and Catalysis (01/10/2017 - 30/09/2020)
- Computational study of zeolites as catalysts for the chemical conversion of lignin-derived compounds (07/04/2014 - 30/03/2018)
- Computer aided design of conducting polymers for solar cell application (01/10/2016 - 30/09/2019)
- IIT Ropar and IIT Madras visits 2018 (01/01/2018 - 31/03/2018)
Research Datasets
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- Adsorption of Oxygen on Low Miller index Surfaces of hcp Cobalt - Farkas B, Cadi-Essadek A, Santos Carballal D, et al. (2018). Cardiff University. 10.17035/d.2018.0052762507. Computational chemistry Molecular modelling Charge Density
- Altering the conductivity of CuO through the formation of intrinsic defects - data - Živković A, de Leeuw NH (2020). Cardiff University. 10.17035/d.2019.0089582693. Photovoltaic Systems Materials Sciences
- Atomistic molecular dynamics simulations of propofol and fentanyl in phosphatidylcholine lipid bilayers - data - Faulkner C, Santos-Carballal D, Plant DF, et al. (2020). Cardiff University. 10.17035/d.2020.0092362446. Molecular dynamics Computational chemistry Lipid Bilayers
- AuCo nanoparticles: ordering, magnetisation, and morphology trends predicted by DFT - data - Farkas B, de Leeuw NH (2022). Cardiff University. 10.17035/d.2022.0164147661. Computational chemistry
- Behaviour of S, SO and SO3 on Pt (001), (011) and (111) surfaces: A DFT Study - data - Ungerer MJ, van Sittert CGCE, de Leeuw NH (2021). Cardiff University. 10.17035/d.2021.0126222709. Monolayer Surfaces Adsorption Intramolecular Interactions Simulations
