Research output per year
Research output per year
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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Dive into the research topics where Structural, Molecular and Dynamic Modelling Centre is active. These topic labels come from the works of this organisation's members. Together they form a unique fingerprint.
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
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 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 -
ARHGAP12 and ARHGAP29 exert distinct regulatory effects on switching between two cell morphological states through GSK-3 activity
Cheng, V., Vaughn-Beaucaire, P., Shaw, G. C., Kriegs, M., Droop, A., Psakis, G., Mittelbronn, M., Humphries, M., Gamboa-Esteves, F. O., Hayes, J., Cockle, J. V., Knipp, S., Rohwedder, A., Ismail, A., Rominiyi, O., Collis, S., Mavria, G., Samarasekara, J., Ladbury, J. E., Ketchen, S. E., & 14 others, 25 Mar 2025, In: Cell Reports. 44, 3, 25 p., 115361.Research output: Contribution to journal › Article › peer-review
Open Access -
Model and algorithmic augmentation in phase field method for simulating the pool boiling phenomenon with high-density ratio
Zhang, X-Y., Duan, X-Y., Zhang, T., Xu, M-H., Sun, S., Gong, L. & Liu, L., 3 Jan 2025, In: Physics of Fluids. 37, 1, 18 p., 013309.Research output: Contribution to journal › Article › peer-review
Open AccessFile
Activities
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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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Direct Determination of the Rate Of Intersystem Crossing In a Near-IR Luminescent Cr(III) Triazolyl Complex
Robert Jones (Contributor to Paper or Presentation), Alexander Auty (Contributor to Paper or Presentation), Guanzhi Wu (Contributor to Paper or Presentation), Petter Persson (Contributor to Paper or Presentation), Martin Appleby (Contributor to Paper or Presentation), Craig Rice (Contributor to Paper or Presentation), Paul Elliott (Contributor to Paper or Presentation), Julia A. Weinstein (Contributor to Paper or Presentation) & Paul Scattergood (Contributor to Paper or Presentation)
18 Dec 2023Activity: Talk or presentation types › Poster presentation
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Goldschmidt2023
Marco Molinari (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
Christopher Wedge
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 to support study of Rigidification of a Macrocyclic Tris-Catecholate Scaffold Leads to Electronic Localisation of its Mixed Valent Redox Product
Halcrow, M. A. (Creator), Greatorex, S. (Creator), Vincent, K. B. (Creator), Baldansuren, A. (Creator), McInnes, E. J. L. (Creator), Patmore, N. J. (Creator) & Sproules, S. (Creator), University of Leeds, 2019
DOI: 10.5518/557
Dataset
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Thermodynamic Evolution of Cerium Oxide Nanoparticle Morphology Using Carbon Dioxide Dataset
Symington, A. R. (Creator), Molinari, M. (Creator), Harker, R. M. (Creator), Storr, M. T. (Creator) & Parker, S. C. (Creator), Zenodo, 25 Sep 2020
Dataset