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Last updated 17th April 2024
Biography
Marco Molinari is Reader in Computational Chemistry and Materials Science at the School of Applied Sciences. He serves as a member of the committee of the EPSRC-funded Materials Chemistry Consortium and of the RSC local section Huddersfield.
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.
His current research applies computational techniques to energy and enviromental materials, their surfaces and interfaces.
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):
Research Expertise and Interests
- Computational modelling
- Properties of minerals and oxide materials
- Surface adsorption and reactivity
- Transport of gasses
- Nanoparticle morphology, aggregation and reactivity
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Collaborations and top research areas from the last five years
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 neoteric antibacterial ceria-silver nanozyme for abiotic surfaces
Pugazhendhi, A. S., Neal, C. J., Ta, K. M., Molinari, M., Kumar, U., Wei, F., Kolanthai, E., Ady, A., Drake, C., Hughes, M., Yooseph, S., Seal, S. & Coathup, M. J., 1 Jun 2024, In: Biomaterials. 307, 29 p., 122527.Research output: Contribution to journal › Article › peer-review
7 Citations (Scopus) -
Composition-dependent morphologies of CeO2 nanoparticles in the presence of Co-adsorbed H2O and CO2: a density functional theory study
Moxon, S., Symington, A. R., Tse, J. S., Flitcroft, J. M., Skelton, J. M., Gillie, L. J., Cooke, D. J., Parker, S. C. & Molinari, M., 21 Jun 2024, In: Nanoscale. 16, 23, p. 11232-11249 18 p.Research output: Contribution to journal › Article › peer-review
Open Access2 Citations (Scopus) -
Composition-dependent morphology of stoichiometric and oxygen deficient PuO2 nanoparticles in the presence of H2O and CO2: A density-functional theory study
Moxon, S., Flitcroft, J. M., Gillie, L. J., Cooke, D. J., Skelton, J. M., Parker, S. C. & Molinari, M., 15 Dec 2024, In: Applied Surface Science. 676, 11 p., 160997.Research output: Contribution to journal › Article › peer-review
Open Access1 Citation (Scopus) -
Effects of carbohydrates and sulfonates during CaO hydration on portlandite microstructure
Pesce, C., Ball, R. J., Molinari, M., Reeksting, S. & Pesce, G. L., 1 Jan 2024, In: Cement and Concrete Research. 175, 15 p., 107372.Research output: Contribution to journal › Article › peer-review
Open Access2 Citations (Scopus) -
Effects of Organic Additives on Portlandite Microstructure during CaO Hydration
Pesce, G. L., Pesce, C. & Molinari, M., 16 Sep 2024, In: MATEC Web of Conferences. 403, 12 p., 07010.Research output: Contribution to journal › Conference article › peer-review
Open Access
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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The impact of Hydrogen on the intermediate oxygen clusters and diffusion in Fluorite Structured UO2+x
Molinari, M. (Creator), University of Huddersfield, 2019
https://huddersfield.box.com/s/090jx75fvntzvy9ksuy0b45uys2uaqpm
Dataset
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Data for: Effect of Acetate Ions and pH on the Morphology of Cerium Oxide Nanoparticles
Molinari, M. (Creator), Mendeley Data, 2023
DOI: https://doi.org/10.17632/9xkwp3s4nz.1
Dataset
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Computer-Aided Design of Nanoceria Structures as Enzyme Mimetic Agents: The Role of Bodily Electrolytes on Maximising Their Activity
Molinari, M. (Creator), University of Huddersfield, 2019
DOI: 10.34696/yqqc-xw77, https://huddersfield.box.com/s/lyvzmh0q2xnhfgm5cytxnum43gf7mtr6 and one more link, https://huddersfield.box.com/s/3ud0ikhrgowu4j6d1n6py1yfwwzlmqjd (show fewer)
Dataset
Activities
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Ab Initio and Classical Atomistic Modelling: from Biomedical to Energy Materials
Marco Molinari (Speaker)
19 Jul 2024Activity: Talk or presentation types › Oral presentation
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UK's HEC Materials Chemistry Consortium 7th Conference
Marco Molinari (Chair)
5 Jul 2024Activity: Participating in or organising an event types › Participating in a conference, workshop, ...
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The CAT and SOD nanozymatic activities of nanoceria
Khoa Ta (Speaker), Lisa Gillie (Contributor to Paper or Presentation), David Cooke (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)
3 Jul 2024Activity: Talk or presentation types › Oral presentation
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Royal Society of Chemistry (External organisation)
Marco Molinari (Member)
2 Apr 2024 → …Activity: Membership types › Membership of a Society or Institute
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Modelling the Infrared and Raman Fingerprint of Phosphate Adsorption on Ceria Surfaces
Marco Molinari (Speaker)
14 Feb 2024Activity: Talk or presentation types › Invited talk