Projects per year
Personal profile
Google Scholar h-Index
25 Last checked 24th January 2023
1972 Google Scholar Citations
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
PhD Studentships in Materials Science
- Cryptand Cages for Anion Selective Encapsulation for Nuclear Waste Remediation
- Engineering of Carbon-Oxide Composite Thermoelectric Nanomaterials
- Modelling Uranium Corrosion by Hydrogen and Formation of Uranium Hydride
Click here to see all postgraduate research opportunities with Dr Marco Molinari
Expertise related to UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):
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Network
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
Projects
- 2 Finished
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NanoCeO2: Design of CeO2 Nanostructures with Enhanced Catalytic Properties
1/06/17 → 31/08/17
Project: Research
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A novel approach for the prevention of ionizing radiation-induced bone loss using a designer multifunctional cerium oxide nanozyme
Wei, F., Neal, C. J., Sakthivel, T. S., Fu, Y., Omer, M., Adhikary, A., Ward, S., Ta, K. M., Moxon, S., Molinari, M., Asiatico, J., Kinzel, M., Yarmolenko, S. N., San Cheong, V., Orlovskaya, N., Ghosh, R., Seal, S. & Coathup, M., 1 Mar 2023, In: Bioactive Materials. 21, p. 547-565 19 p.Research output: Contribution to journal › Article › peer-review
Open Access -
Structural dynamics of Schottky and Frenkel defects in CeO2: a density-functional theory study
Smith, T., Moxon, S., Tse, J. S., Skelton, J. M., Cooke, D. J., Gillie, L. J., Da silva, E. L., Harker, R. M., Storr, M. T., Parker, S. C. & Molinari, M., 1 Apr 2023, In: Journal of Physics: Energy. 5, 2, 17 p., 025004.Research output: Contribution to journal › Article › peer-review
Open Access -
A Review of Key Properties of Thermoelectric Composites of Polymers and Inorganic Materials
Wood, N. D., Gillie, L. J., Cooke, D. J. & Molinari, M., 1 Dec 2022, In: Materials. 15, 23, 35 p., 8672.Research output: Contribution to journal › Review article › peer-review
Open Access -
Chemical bonding: processes, structure and properties
Chapman, R. A., Molinari, M., Rana, S. & Goswami, P., 31 May 2022, Handbook of Nonwovens . Russell, S. J. (ed.). 2 ed. Woodhead Publishing, p. 395- 440 46 p. (The Textile Institute Book Series).Research output: Chapter in Book/Report/Conference proceeding › Chapter › peer-review
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Customising Microstructural and Mineralogical Characteristics of Hydrated Lime using Biopolymers
Pesce, C., Pesce, G. L., Molinari, M. & Richardson, A., 6 Jan 2022, In: Construction Technologies and Architecture. 1, p. 353-360 8 p.Research output: Contribution to journal › Conference article › peer-review
Datasets
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The Energetics of Carbonated PuO2 Surfaces Affects Nanoparticle Morphology: A DFT+U Study
Molinari, M. (Creator), University of Huddersfield, 2020
https://huddersfield.box.com/s/ahotv651gf36avkxetub96ys4gjob54q
Dataset
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Controlling the {111}/{110} surface Ratio of Cuboidal Ceria Nanoparticles
Molinari, M. (Creator), University of Huddersfield, 2019
https://huddersfield.box.com/s/hwgks9sl2gngdqap4nv348blxuv5ifac
Dataset
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symmy596/SurfinPy: SurfinPy 2.0: A Phase Diagram Generator for Surfaces and Bulk Phases
Tse, J. S. (Creator), Molinari, M. (Creator), Parker, S. C. (Creator) & Symington, A. (Creator), Zenodo, 2022
DOI: 10.5281/zenodo.6250513, https://zenodo.org/record/6250513
Dataset
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Data Supporting The role of dopant segregation on the oxygen vacancy distribution and oxygen diffusion in CeO2 grain boundaries
Symington, A. (Creator), Molinari, M. (Creator), Statham, J. (Creator), Wu, J. (Creator) & Parker, S. C. (Creator), Zenodo, 2019
DOI: 10.5281/zenodo.3366185, https://zenodo.org/record/3366185
Dataset
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Data for "The Impact of Tilt Grain Boundaries on the Thermal Transport in Perovskite SrTiO3 Layered Nanostructures. A Computational Study"
Parker, S. (Creator), Molinari, M. (Creator), Yeandel, S. (Creator) & Bath, U. O. (Contributor), University of Bath, 2018
DOI: 10.15125/bath-00536, https://researchdata.bath.ac.uk/id/eprint/536
Dataset
Activities
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Modelling the evolution of oxide nanoparticles in the presence adsorbed molecules
Marco Molinari (Speaker)
6 Feb 2023Activity: Talk or presentation types › Invited talk
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The magnetic properties of cubic PuH2 and PuH3: a first-principles investigation
Thomas Smith (Speaker), Samuel Moxon (Contributor to Paper or Presentation), David Cooke (Contributor to Paper or Presentation), Robert M. Harker (Contributor to Paper or Presentation), Mark T. Storr (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)
7 Sep 2022Activity: Talk or presentation types › Poster presentation
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A first-principles study of the impact of Frenkel and Schottky defects on the thermal properties of ceria
Thomas Smith (Speaker), Samuel Moxon (Contributor to Paper or Presentation), Joshua Tse (Contributor to Paper or Presentation), Jonathan Skelton (Contributor to Paper or Presentation), David Cooke (Contributor to Paper or Presentation), Lisa Gillie (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)
7 Sep 2022Activity: Talk or presentation types › Oral presentation
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Atomistic simulations of structure and stability of coincidence site lattice grain boundaries in CeO2
Susanna Vigorito (Speaker), David Cooke (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)
7 Sep 2022Activity: Talk or presentation types › Poster presentation
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A rigid-ion model for mixing SrTiO3 with PANI
Nathan Wood (Speaker), Joshua Tse (Contributor to Paper or Presentation), David Cooke (Contributor to Paper or Presentation), Lisa Gillie (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)
7 Sep 2022Activity: Talk or presentation types › Poster presentation