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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
Density functional theory Chemical Compounds
Thermal conductivity Chemical Compounds
Nanoparticles Chemical Compounds
Water Chemical Compounds
Nanostructures Chemical Compounds

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Projects 2017 2019

Computational Design and Engineering of Metal Oxide Nanozymes

Molinari, M.


Project: ResearchResearch Council

NanoCeO2: Design of CeO2 Nanostructures with Enhanced Catalytic Properties

Molinari, M.


Project: ResearchResearch Council

Research Output 2008 2018

  • 42 Article
  • 4 Conference contribution

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 journalArticle

Open Access

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., 17 Oct 2018, In : Materials Research Express. 6, 1, 015032.

Research output: Contribution to journalArticle

Cerium compounds

Morphology and Crystal Planes Effects on Supercapacitance of CeO2 Nanostructures: Electrochemical and Molecular Dynamics Studies

Jeyaranjan, A., Sakthivel, T. S., Molinari, M., Sayle, D. C. & Seal, S., 9 Aug 2018, In : Particle and Particle Systems Characterization. 9 p., 1800176 .

Research output: Contribution to journalArticle

Molecular dynamics
molecular dynamics
2 Citations

Prospects for Engineering Thermoelectric Properties in La1/3NbO3 Ceramics Revealed via Atomic-Level Characterization and Modeling

Kepaptsoglou, D., Baran, J. D., Azough, F., Ekren, D., Srivastava, D., Molinari, M., Parker, S. C., Ramasse, Q. M. & Freer, R., 2 Jan 2018, In : Inorganic Chemistry. 57, 1, p. 45-55 11 p.

Research output: Contribution to journalArticle

Open Access
thermal conductivity
Seebeck effect
Thermal conductivity

Protecting ceria nanocatalysts-The role of sacrificial barriers

Morgan, L. M., Molinari, M., Corrias, A. & Sayle, D. C., 30 Aug 2018, In : ACS Applied Materials and Interfaces. 10, 38, p. 32510-32515 6 p.

Research output: Contribution to journalArticle

Open Access
Cerium compounds
Plastic deformation
Functional materials
Structural integrity
Carbon Monoxide