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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

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Research Output

  • 17 h-Index
  • 52 Article
  • 5 Conference contribution
  • 1 Review article

Strongly Bound Surface Water Affects the Shape Evolution of Cerium Oxide Nanoparticles

Symington, A., Molinari, M., Moxon, S., Flitcroft, J., Sayle, D. C. & Parker, S. C., 13 Feb 2020, In : Journal of Physical Chemistry C. 124, 6, p. 3577-3588 12 p.

Research output: Contribution to journalArticle

  • The energetics of carbonated PuO2 surfaces affects nanoparticle morphology: a DFT+U study

    Moxon, S., Symington, A. R., Tse, J., Dawson, J., Flitcroft, J., Parker, S. C., Cooke, D., Harker, R. M. & Molinari, M., 21 Apr 2020, In : Physical Chemistry Chemical Physics. 22, 15, p. 7728-7737 10 p.

    Research output: Contribution to journalArticle

  • 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

    Open Access
  • 5 Citations (Scopus)

    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

    Open Access
  • 7 Citations (Scopus)

    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