- ORCID iD
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0000-0002-9187-4293
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- Journal Article
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- open access
High-throughput screening of covalent organic frameworks for carbon capture using machine learning
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Computational protocol for the spectral assignment of NMR resonances in covalent organic frameworks
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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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In-depth computational characterization of the structure and dynamics in covalent organic frameworks
(2023) -
- Journal Article
- A1
- open access
Engineering of phenylpyridine- and bipyridine-based covalent organic frameworks for photocatalytic tandem aerobic oxidation/povarov cyclization
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- Journal Article
- A1
- open access
Understanding the phase transition mechanism in the lead halide perovskite CsPbBr3 via theoretical and experimental GIWAXS and Raman spectroscopy
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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
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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- Journal Article
- A1
- open access
Exploring the phase stability in interpenetrated diamondoid covalent organic frameworks
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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