Projects per year
Personal profile
Google Scholar h-Index
19 Last checked 23 June 2020
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
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Projects
- 2 Finished
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NanoCeO2: Design of CeO2 Nanostructures with Enhanced Catalytic Properties
1/06/17 → 31/08/17
Project: Research
Research output
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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
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Review of oilfield produced water treatment technologies
Amakiri, K., Ramirez Canon, A., Molinari, M. & Angelis-Dimakis, A., 1 Jul 2022, In: Chemosphere. 298, 20 p., 134064.Research output: Contribution to journal › Review article › peer-review
Open Access2 Citations (Scopus) -
Structural dynamics of Schottky and Frenkel defects in ThO2: A density-functional theory study
Moxon, S., Skelton, J., Tse, J. S., Flitcroft, J., Togo, A., Cooke, D. J., Lora Da Silva, E., Harker, R. M., Storr, M. T., Parker, S. C. & Molinari, M., 28 Jan 2022, In: Journal of Materials Chemistry A. 10, 4, p. 1861-1875 15 p.Research output: Contribution to journal › Article › peer-review
Open Access -
SurfinPy 2.0: A Phase Diagram Generator for Surfaces and Bulk Phases
Tse, J., Molinari, M., Parker, S. C. & Symington, A. R., 3 Mar 2022, In: The Journal of Open Source Software. 7, 71, 3 p., 4014.Research output: Contribution to journal › Comment/debate › 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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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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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
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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
Activities
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Phosphate adsorption on {111}, {110}, and {100} surfaces of ceria: A DFT study
Khoa Ta (Speaker), Samuel Moxon (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)
6 Jul 2022Activity: Talk or presentation types › Oral presentation
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An ab initio investigation of the impact of intrinsic defects on the thermal properties of CeO2
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)
6 Jul 2022Activity: Talk or presentation types › Oral presentation
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The thermoelectric properties of Polyaniline-SrTiO3 composites
Nathan Wood (Speaker), 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)
6 Jul 2022Activity: Talk or presentation types › Oral presentation
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Engineering the polyaniline:SrTiO3 interface: A density functional theory study
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)
15 Jul 2021Activity: Talk or presentation types › Poster presentation
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First-principles study of plutonium hydrides
Thomas Smith (Speaker), Samuel Moxon (Contributor to Paper or Presentation), David Cooke (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)
15 Jul 2021Activity: Talk or presentation types › Poster presentation