Projects per year
Personal profile
Biography
Marco Molinari is a senior lecturer in physical and computational chemistry at the School of Applied Sciences. He is a full member of the EPSRC funded Materials Chemistry Consortium and of the Huddersfield High Performance Computing Research Group.
He carried out his undergraduate studies at the University of Pavia (Italy, 2006) before taking his PhD in computational chemistry (2009) as a collaboration between the Universality of Pavia and Bath (UK). He started his EPSRC funded postdoctoral research in computational chemistry in the group of Stephen Parker at the University of Bath, working on surface science, materials science and computational chemistry.
Research Expertise and Interests
- Computational modelling
- Properties of minerals and oxide materials
- Surface adsorption and reactivity
- Transport of gasses
- Nanoparticle morphology, aggregation and reactivity
Research Degree Supervision
Fingerprint Fingerprint is based on mining the text of the person's scientific documents to create an index of weighted terms, which defines the key subjects of each individual researcher.
Cerium compounds
Chemical Compounds
Oxides
Chemical Compounds
Adsorption
Chemical Compounds
Nanoparticles
Chemical Compounds
Density functional theory
Chemical Compounds
Thermal conductivity
Chemical Compounds
Water
Chemical Compounds
Oxygen
Chemical Compounds
Network
Recent external collaboration on country level. Dive into details by clicking on the dots.
Projects 2017 2019
Computational Design and Engineering of Metal Oxide Nanozymes
1/01/18 → 30/04/19
Project: Research › Research Council
NanoCeO2: Design of CeO2 Nanostructures with Enhanced Catalytic Properties
1/06/17 → 31/08/17
Project: Research › Research Council
Research Output 2008 2019
Computer-Aided Design of Nanoceria Structures as Enzyme Mimetic Agents: The Role of Bodily Electrolytes on Maximising Their Activity
Molinari, M., Symington, A., Sayle, D., Sakthivel, T. S., Seal, S. & Parker, S. C., 2019, In : ACS Applied Bio Materials. 2, 3, p. 1098-1106 9 p.Research output: Contribution to journal › Article
Electrolytes
Computer aided design
Enzymes
Catalyst poisoning
Oxygen
Controlling the {111}/{110} Surface Ratio of Cuboidal Ceria Nanoparticles
Castanet, U., Feral-Martin, C., Demourgues, A., Neal, R., Sayle, D., Caddeo, F., Flitcroft, J., Caygill, R., Pointon, B., Molinari, M. & Majimel, J., 18 Mar 2019, In : ACS applied materials & interfaces. 11, 12, p. 11384-11390 7 p.Research output: Contribution to journal › Article
Cerium compounds
Nanoparticles
Molecular dynamics
High resolution transmission electron microscopy
Hydrothermal synthesis
In-situ observation of radiation physics and chemistry of nanostructured cerium oxide in water
Asghar, M. S. A., Inkson, B., Seal, S., Molinari, M., Sayle, D. & Möbus, G., 1 Jan 2019, In : Materials Research Express. 6, 1, 015032.Research output: Contribution to journal › Article
Cerium compounds
Cerium
Dissolution
Physics
Radiation
The impact of Hydrogen on the intermediate oxygen clusters and diffusion in Fluorite Structured UO2+x
Flitcroft, J., Symington, A., Molinari, M., Brincat, N. A., Williams, N. R. & Parker, S. C., 2019, In : Inorganic Chemistry. 58, 6, p. 3774-3779 6 p.Research output: Contribution to journal › Article
Fluorspar
fluorite
Hydrogen
Oxygen
oxygen
Combined EXAFS and ab initio study of copper complex geometries adsorbed on natural illite
Martins, D. M. S., Mirão, J. P., Göttlicher, J., Molinari, M., Steininger, R., Parker, S. C. & Gonçalves, M. A., Feb 2018, In : Applied Clay Science. 152, p. 73-82 10 p.Research output: Contribution to journal › Article
Open Access
File
illite
Copper
copper
adsorption
Adsorption