- ORCID iD
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0000-0003-4493-5708
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MicMec: Developing the Micromechanical Model to Investigate the Mechanics of Correlated Node Defects in UiO-66
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- Journal Article
- A1
- open access
Quantum tunneling rotor as a sensitive atomistic probe of guests in a metal-organic framework
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MOFs for long-term gas storage : exploiting kinetic trapping in ZIF-8 for on-demand and stimuli-controlled gas release
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- Journal Article
- A1
- open access
Absorbing stress via molecular crumple zones : strain engineering flexibility into the rigid UiO-66 material
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- Journal Article
- A1
- open access
Microscopic linker distribution in mixed-linker zeolitic imidazolate frameworks via computational raman spectroscopy : implications for gas separation
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- Journal Article
- A1
- open access
ReDD-COFFEE : a ready-to-use database of covalent organic framework structures and accurate force fields to enable high-throughput screenings
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Computational modelling of MOF mechanics : from elastic behaviour to phase transformations
(2023) Mechanical behaviour of metal : organic framework materials. In Inorganic materials 12. p.113-204 -
- Journal Article
- A1
- open access
Exploring the phase stability in interpenetrated diamondoid covalent organic frameworks
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- Journal Article
- A1
- open access
An embedded interfacial network stabilizes inorganic CsPbI3 perovskite thin films
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- Journal Article
- A1
- open access
Accurately determining the phase transition temperature of CsPbI3 via random-phase approximation calculations and phase-transferable machine learning potentials