Cristiana Di Valentin

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Papers (11)

1. Discovering structural, electronic and excitonic properties of bulk, nanostructured and doped C3N4 in diamond- and graphitic-like phases cond-mat.mtrl-sci · 2026 · author #6
2. Interfacing CRYSTAL/AMBER to Optimize QM/MM Lennard-Jones Parameters for Water and to Study Solvation of TiO2 Nanoparticles physics.chem-ph · 2019 · author #7
3. An efficient way to model complex magnetite: assessment of SCC-DFTB against DFT cond-mat.mtrl-sci · 2019 · author #3
4. Using Density Functional Theory to Model Realistic TiO2 Nanoparticles, Their Photoactivation and Interaction with Water cond-mat.mtrl-sci · 2018 · author #3
5. Modelling Realistic TiO2 Nanospheres: a Benchmark Study of SCC-DFTB against Hybrid DFT cond-mat.mtrl-sci · 2017 · author #3
6. Photoexcited Carriers Recombination And Trapping In Spherical Vs Faceted TiO2 Nanoparticles cond-mat.mtrl-sci · 2016 · author #3
7. Boron-Doped Graphene As Active Electrocatalyst For Oxygen Reduction Reaction At A Fuel-Cell Cathode cond-mat.mtrl-sci · 2016 · author #3
8. Anisotropic Effects of Oxygen Vacancies on Electrochromic Properties and Conductivity of $\gamma$-Monoclinic WO$_3$ cond-mat.mtrl-sci · 2016 · author #2
9. Defect calculations in semiconductors through a dielectric-dependent hybrid DFT functional: the case of oxygen vacancies in metal oxides cond-mat.mtrl-sci · 2015 · author #5
10. Communication: Hole localization in Al-doped quartz SiO2 within ab initio hybrid-functional DFT cond-mat.mtrl-sci · 2015 · author #2
11. Electronic structure and phase stability of oxide semiconductors: Performance of dielectric-dependent hybrid functional DFT, benchmarked against $GW$ band structure calculations and experiments cond-mat.mtrl-sci · 2015 · author #5

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Frequent Coauthors

• Gianluca Fazio 5 shared papers
• Carlo Enrico Bottani 4 shared papers
• Gianfranco Pacchioni 4 shared papers
• Giovanni Onida 4 shared papers
• Matteo Gerosa 4 shared papers
• Daniele Selli 3 shared papers
• Lara Ferrighi 2 shared papers
• Lucia Caramella 2 shared papers
• Asmus Ougaard Doh 1 shared papers
• Bartolomeo Civalleri 1 shared papers
• Da Chen 1 shared papers
• Daniele Perilli 1 shared papers
• Giulia Frigerio 1 shared papers
• Gotthard Seifert 1 shared papers
• Hongsheng Liu 1 shared papers
• Jens J{\o}rgen Mortensen 1 shared papers
• Lorenzo Ferraro 1 shared papers
• Paulo Siani 1 shared papers
• Pietro Andreozzi 1 shared papers