- ORCID iD
- 0000-0003-4493-5708
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Theoretical understanding and insights on flexible metal–organic frameworks
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High-throughput screening of covalent organic frameworks for carbon capture using machine learning
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- Journal Article
- A1
- open access
OGRe : optimal grid refinement protocol for accurate free energy surfaces and its application in proton hopping in zeolites and 2D COF stacking
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- Journal Article
- A1
- open access
Additivity of atomic strain fields as a tool to strain-engineering phase-stabilized CsPbI3 perovskites
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- Journal Article
- A1
- open access
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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- Journal Article
- A1
- open access
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