- ORCID iD
- 0000-0002-4462-8209
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How to verify the precision of density-functional-theory implementations via reproducible and universal workflows
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Towards accurate processing-structure-property links using deep learning
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The Abinit project : impact, environment and recent developments
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- Journal Article
- A1
- open access
A first-principles reassessment of the Fe-N phase diagram in the low-nitrogen limit
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- Journal Article
- A1
- open access
Thermal unequilibrium of strained black CsPbI3 thin films
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- Journal Article
- A1
- open access
Optical properties of isolated and covalent organic framework-embedded ruthenium complexes
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Electronic properties of heterogenized Ru(II) polypyridyl photoredox complexes on covalent triazine frameworks
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- Journal Article
- A1
- open access
Tuning the balance between dispersion and entropy to design temperature-responsive flexible metal-organic frameworks
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- Journal Article
- A1
- open access
Exploring lanthanide doping in UiO-66 : a combined experimental and computational study of the electronic structure
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- Conference Paper
- C3
- open access
Mn impurities in CaZnOS: insight from luminescence spectroscopy and density functional theory
(2017)