• 1271 Citations
  • 17 h-Index
20022019
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Fingerprint Fingerprint is based on mining the text of the person's scientific documents to create an index of weighted terms, which defines the key subjects of each individual researcher.

  • 3 Similar Profiles
perovskites Physics & Astronomy
Cations Chemical Compounds
Density functional theory Chemical Compounds
Vacancies Chemical Compounds
Silicon Chemical Compounds
density functional theory Physics & Astronomy
Perovskite Engineering & Materials Science
Transport properties Chemical Compounds

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Research Output 2002 2019

  • 1271 Citations
  • 17 h-Index
  • 60 Article
  • 1 Chapter
  • 1 Comment/debate
Physical Chemistry
Physical chemistry
machine learning
physical chemistry
Physics
1 Citation (Scopus)

Exploring new approaches towards the formability of mixed-ion perovskites by DFT and machine learning

Park, H., Mall, R., Alharbi, F., Sanvito, S., Tabet, N., Bensmail, H. & El-Mellouhi, F., 1 Jan 2019, In : Physical Chemistry Chemical Physics. 21, 3, p. 1078-1088 11 p.

Research output: Contribution to journalArticle

machine learning
perovskites
Formability
Discrete Fourier transforms
learning
Fluorination
Cations
Lead
Positive ions
Perovskite

Benchmarking the performance of plane-wave vs. localized orbital basis set methods in DFT modeling of metal surface: a case study for Fe-(110)

Adhikari, K., Chakrabarty, A., Bouhali, O., Mousseau, N., Becquart, C. S. & El-Mellouhi, F., 1 Nov 2018, In : Journal of Computational Science. 29, p. 163-167 5 p.

Research output: Contribution to journalArticle

Benchmarking
Discrete Fourier transforms
Plane Wave
Basis Functions
Metals
1 Citation (Scopus)

Carbon diffusion paths and segregation at high-angle tilt grain boundaries in α -Fe studied by using a kinetic activation-relation technique

Restrepo, O. A., Mousseau, N., Trochet, M., El-Mellouhi, F., Bouhali, O. & Becquart, C. S., 14 Feb 2018, In : Physical Review B. 97, 5, 054309.

Research output: Contribution to journalArticle

Grain boundaries
Carbon
grain boundaries
Chemical activation
activation