Organisation profile
Organisation profile
The activities of this Centre focus on supramolecular and structural chemistry with a specific interest in the formation of transition metal complexes and/or the structural characterisation of these metal containing species. In addition, dynamic modelling of molecules and their interaction with the environment, biological and other molecules is a new development in this centre. The Centres activities include:
- X-ray diffraction
- Molecular self assembly
- Coordination chemistry
- Solid state chemistry
- Novel semi-conductor materials
- Structural characterisation
- Dynamic modelling in silico
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. Our work contributes towards the following SDG(s):
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SDG 3 Good Health and Well-being -
SDG 6 Clean Water and Sanitation -
SDG 7 Affordable and Clean Energy -
SDG 8 Decent Work and Economic Growth -
SDG 9 Industry, Innovation, and Infrastructure -
SDG 11 Sustainable Cities and Communities -
SDG 12 Responsible Consumption and Production -
SDG 13 Climate Action -
SDG 15 Life on Land
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Collaborations and top research areas from the last five years
Profiles
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David Cooke
- Department of Physical and Life Sciences - Subject Area Leader - Chemistry & Chemical Engineering
- School of Applied Sciences
- Structural, Molecular and Dynamic Modelling Centre - Member
- Centre for Functional Materials - Associate Member
- Centre for Engineering Materials - Associate Member
- Centre for Sustainable Software Engineering
Person: Academic
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Lande Liu
- Department of Physical and Life Sciences - Senior Lecturer in Chemical Engineering
- School of Applied Sciences
- Structural, Molecular and Dynamic Modelling Centre - Member
Person: Academic
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Marco Molinari
- Department of Physical and Life Sciences - Reader
- School of Applied Sciences
- Centre for Functional Materials - Member
- Pharmaceutics and Drug Delivery Centre - Associate Member
- Structural, Molecular and Dynamic Modelling Centre - Associate Member
Person: Academic
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A New Family of Ternary Intermetallic Compounds with Dualistic Atomic Ordering – The ZIP Phases
Tunes, M. A., Drewry, S. M., Schmidt, F., Valdez, J. A., Schneider, M. M., Kohnert, C. A., Saleh, T. A., Fensin, S., Maloy, S. A., Schön, C. G., Dubois, S., Tabo, O., Eyal, A., Keren, A., Pesach, A., Nayak, G. K., Christopoulos, S. G., Molinari, M., Hans, M. & Goossens, N. & 5 others, , 6 Feb 2026, In: Advanced Materials. 38, 8, 23 p., e08168.Research output: Contribution to journal › Article › peer-review
Open Access -
Impact of small-molecule adsorbates on the morphology of PuO2 nanoparticles from first-principles modelling
Moxon, S., Flitcroft, J., Skelton, J. M., Gillie, L. J., Cooke, D. J., Parker, S. C. & Molinari, M., 20 Feb 2026, In: Journal of Physics Condensed Matter. 38, 7, 20 p., 075001.Research output: Contribution to journal › Article › peer-review
Open Access -
Synthesis, characterisation and biological properties of a silver helicate which displays enhanced activity towards methicillin-resistant Staphylococcus aureus (MRSA)
Ndifon, P., Pinder, E. C., Slater, C. H. L., Clemett, C. J., McRobbie, A. A. T., Rayner, S. P., Wickramarachchi, S., Bertal-Ngaage, K., Allison, S. J., Dowey, R., Harmer, J., Carr, M., Slate, A. J., Phillips, R. M., Butler, J. A., Rice, C. R. & Whitehead, M., 3 Mar 2026, In: Dalton Transactions. 55, 9, p. 3667-3671 5 p.Research output: Contribution to journal › Article › peer-review
Open Access
Projects
- 1 Finished
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Self-assembled Cryptates as Antimicrobial Agents.
Rice, C. (PI), Slate, A. (CoPI), Allison, S. (CoPI), Whitehead, M. (CoPI), Phillips, R. (CoPI), Harmer, J. (CoPI) & Ginger, M. (CoPI)
1/11/25 → 28/02/26
Project: Research
Activities
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The CAT and SOD nanozymatic activities of nanoceria
Ta, K. (Speaker), Gillie, L. (Contributor to Paper or Presentation), Cooke, D. (Contributor to Paper or Presentation) & Molinari, M. (Contributor to Paper or Presentation)
3 Jul 2024Activity: Talk or presentation types › Oral presentation
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Direct Determination of the Rate Of Intersystem Crossing In a Near-IR Luminescent Cr(III) Triazolyl Complex
Jones, R. (Contributor to Paper or Presentation), Auty, A. (Contributor to Paper or Presentation), Wu, G. (Contributor to Paper or Presentation), Persson, P. (Contributor to Paper or Presentation), Appleby, M. (Contributor to Paper or Presentation), Rice, C. (Contributor to Paper or Presentation), Elliott, P. (Contributor to Paper or Presentation), Weinstein, J. A. (Contributor to Paper or Presentation) & Scattergood, P. (Contributor to Paper or Presentation)
18 Dec 2023Activity: Talk or presentation types › Poster presentation
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Goldschmidt2023
Molinari, M. (Chair)
13 Jul 2023 → 14 Jul 2023Activity: Participating in or organising an event types › Participating in a conference, workshop, ...
Press/Media
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Researchers engineer molecular magnets to act as long-lived qubits
Wedge, C.
21/03/12
1 item of Media coverage
Press/Media: Research
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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Data for: Sorption of Arsenate on Cerium Oxide: A Simulated Infrared and Raman Spectroscopic Identification
Molinari, M. (Creator) & Ta, K. (Creator), Mendeley Data, 20 Jan 2025
DOI: 10.17632/rkbkbxcmj4.2, https://data.mendeley.com/datasets/rkbkbxcmj4/2
Dataset
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Data for: Linear-Scaling Density Functional Theory (DFT) Simulations of Point, Frenkel and Schottky Defects in CeO2
Anwar, N. (Creator), Skylaris, C.-K. (Contributor), Molinari, M. (Contributor), Storr, M. (Contributor) & Harker, R. (Contributor), Mendeley Data, 2023
DOI: 10.17632/mxvwntb5wy.1, https://data.mendeley.com/datasets/mxvwntb5wy
Dataset