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Personal profile


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

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Projects 2017 2019

NanoCeO2: Design of CeO2 Nanostructures with Enhanced Catalytic Properties

Molinari, M.


Project: ResearchResearch Council

Computational Design and Engineering of Metal Oxide Nanozymes

Molinari, M.


Project: ResearchResearch Council

Research Output 2008 2019

  • 44 Article
  • 4 Conference contribution

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 journalArticle

Computer aided design
Catalyst poisoning

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., 27 Mar 2019, In : ACS applied materials & interfaces. 11, 12, p. 11384-11390 7 p.

Research output: Contribution to journalArticle

Cerium compounds
Molecular dynamics
High resolution transmission electron microscopy
Hydrothermal synthesis

Impact of Hydrogen on the Intermediate Oxygen Clusters and Diffusion in Fluorite Structured UO 2+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 journalArticle


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 journalArticle

Cerium compounds

Quantification of the adsorption of benzoates on poly(dimethylsiloxane) membrane

Waters, L., Jesney, H., Molinari, M. & Shahzad, Y., 6 Jun 2019, In : European Polymer Journal. 118, p. 286-289 4 p.

Research output: Contribution to journalArticle