If you made any changes in Pure these will be visible here soon.

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 Dive into the research topics where Marco Molinari is active. These topic labels come from the works of this person. Together they form a unique fingerprint.

Cerium compounds Engineering & Materials Science
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

Molinari, M.


Project: ResearchResearch Council - EPSRC

NanoCeO2: Design of CeO2 Nanostructures with Enhanced Catalytic Properties

Molinari, M.


Project: ResearchResearch Council - Other

Research Output 2008 2019

  • 50 Article
  • 5 Conference contribution
  • 1 Review article

Computer-Aided Design of Nanoceria Structures as Enzyme Mimetic Agents: The Role of Bodily Electrolytes on Maximizing Their Activity

Molinari, M., Symington, A., Sayle, D., Sakthivel, T. S., Seal, S. & Parker, S. C., 18 Mar 2019, In : ACS Applied Bio Materials. 2, 3, p. 1098-1106 9 p.

Research output: Contribution to journalArticle

Computer-Aided Design
Computer aided design

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

Defect segregation facilitates oxygen transport at fluorite UO2 grain boundaries

Symington, A. R., Molinari, M., Brincat, N. A., Williams, N. R. & Parker, S. C., 8 Jul 2019, In : Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences. 377, 2152, 16 p., 20190026.

Research output: Contribution to journalArticle

Open Access
Grain Boundary

Droplet Misalignment Limit for Inkjet Printing into Cavities on Textured Surfaces

Jackson, F. F., Kubiak, K. J., Wilson, M. C. T., Molinari, M. & Stetsyuk, V., 23 Jul 2019, In : Langmuir. 35, 29, p. 9564-9571 8 p.

Research output: Contribution to journalArticle


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