Projects per year
Personal profile
Research Degree Supervision
If you are interested in studying for a PhD in this research subject area click here
For more details about the research topics, expertise and interests of this academic, click on the fingerprint icon
Google Scholar h-Index
29 from 2,576 citations
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
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.
- 1 Similar Profiles
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
-
-
NanoCeO2: Design of CeO2 Nanostructures with Enhanced Catalytic Properties
1/06/17 → 31/08/17
Project: Research
-
A computational high throughput search of symmetric tilt grain boundaries in cerium oxide
Vigorito, S., Statham, J. M., Tse, J. S., Symington, A. R., Underwood, T. L., Watson, G., Möbus, G., Parker, S. C., Gillie, L. J., Cooke, D. J. & Molinari, M., 1 May 2025, In: Acta Materialia. 289, 15 p., 120719.Research output: Contribution to journal › Article › peer-review
Open Access -
Sorption of arsenate on cerium oxide: a simulated infrared and Raman spectroscopic identification
Ta, K. M., Wisdom, D. O., Gillie, L. J., Cooke, D. J., Zhu, R., Gonçalves, M. A., Parker, S. C. & Molinari, M., 1 Mar 2025, In: Environmental Science: Nano. 2025, 3, p. 1896-1907 12 p.Research output: Contribution to journal › Article › peer-review
Open Access -
The interaction of phosphate species with cerium oxide: The known, the ambiguous and the unexplained
Ta, K. M., Neal, C. J., Coathup, M. J., Seal, S., Phillips, R. M. & Molinari, M., 1 Jan 2025, In: Biomaterials Advances. 166, 12 p., 214063.Research output: Contribution to journal › Review article › peer-review
Open Access -
Towards modelling speciation and crystal morphology: The hydration of plutonium hydride surfaces
Smith, T., Moxon, S., Tse, J. S., Cooke, D. J., Gillie, L. J., Harker, R. M., Storr, M. T., Lora da silva, E. & Molinari, M., 14 Mar 2025, In: International Journal of Hydrogen Energy. 109, p. 1241-1252 12 p.Research output: Contribution to journal › Article › peer-review
Open Access -
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
Open AccessFile9 Citations (Scopus)
Datasets
-
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
-
Data Supporting Defect segregation facilitates oxygen transport at fluorite UO2 grain boundaries
Symington, A. R. (Creator), Molinari, M. (Creator), Brincat, N. (Creator), Williams, N. (Creator) & Parker, S. C. (Creator), Zenodo, 2019
DOI: 10.1098/rsta.2019.0026, https://zenodo.org/record/3228371
Dataset
-
A novel approach for the prevention of ionizing radiation-induced bone loss using a designer multifunctional cerium oxide nanozyme
Molinari, M. (Creator), Ta, K. (Contributor) & Moxon, S. (Contributor), Mendeley Data, 2023
DOI: 10.17632/rg843pggxp.1, https://data.mendeley.com/datasets/rg843pggxp
Dataset
-
Data for 'Grain boundary segregation and phase separation in ceria-zirconia from atomistic simulation'
Underwood, T. (Creator) & Molinari, M. (Contributor), Zenodo, 7 Oct 2023
DOI: doi.org/10.5281/zenodo.8414910, https://zenodo.org/records/8414910
Dataset
-
Aging Mechanisms of Nanoceria and Pathways for Preserving Optimum Morphology
Molinari, M. (Creator), Mendeley Data, 2023
DOI: 10.17632/jdnkf84zj4.1, https://data.mendeley.com/datasets/jdnkf84zj4
Dataset
Activities
-
Modelling Nuclear Materials
Marco Molinari (Speaker)
26 Mar 2025Activity: Talk or presentation types › Invited talk
-
Collaborative Computational Project 5 (External organisation)
Marco Molinari (Member)
1 Feb 2025 → 31 Jan 2028Activity: Membership types › Membership of committee
-
Ab Initio and Classical Atomistic Modelling: from Biomedical to Energy Materials
Marco Molinari (Speaker)
19 Jul 2024Activity: Talk or presentation types › Oral presentation
-
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, ...
-
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