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How to verify the precision of density-functional-theory implementations via reproducible and universal workflows
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- Conference Paper
- C3
- open access
Doping of CeO2 as a tunable buffer layer for coated superconductors: a DFT study of mechanical and electronic properties
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- Conference Paper
- C3
- open access
Hirshfeld-I charges : from molecules to solids : implementation, pitfalls and applications
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- Journal Article
- A1
- open access
Aliovalent doping of CeO2 : DFT study of oxidation state and vacancy effects
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- Journal Article
- A1
- open access
Tetravalent doping of CeO2 : the impact of valence electron character on group IV dopant influence
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- Conference Paper
- C3
- open access
Calculating Hirshfeld-I charges in solids: implementation, pitfalls and applications
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- Conference Paper
- C3
- open access
Calculating Hirschfeld-I charges in solids: implementation, pitfalls and applications
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- Journal Article
- A1
- open access
Tuning of CeO₂ buffer layers for coated superconductors through doping
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- Journal Article
- A1
- open access
Density functional theory study of La2Ce2O7 : disordered fluorite versus pyrochlore structure
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- Conference Paper
- C3
- open access
Tuning of CeO2 buffer layers for coated superconductors through metal doping
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DFT study of La2Ce2O7 : a question of order
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Tuning Of CeO2 buffer layers through doping