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Adlane Sayede
Affiliation : Centre National de la Recherche Scientifique · Université de Lille · Unité de Catalyse et Chimie du Solide · Université d'Artois · Centrale Lille Institut
- 56Publications (affiliation in France)
- 190Total publications
- 1757Citations
- 26h-index
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Create my free profile Add my publicationsResearch areas
- Machine Learning in Materials Science
- Advanced Chemical Physics Studies
- Heusler alloys: electronic and magnetic properties
- Magnetic and transport properties of perovskites and related materials
- Computational Drug Discovery Methods
Publications (56)
- Theoretical investigation on structural, topological, electronic, optoelectronic, nonlinear optical (NLO) properties and in silico molecular docking of some quercetin derivatives
- Effects of temperature and pressure on the structural, elastic and thermodynamic properties of halogenated perovskites CdLiCl 3 and CdLiF 3
- Optoelectronic properties and stability of hydride antiperovskites X₃HS (X = Li, Na, K, Rb): First-principles insights for solid-state battery applications
- Half‐Heuslers SrZnSi and SrZnGe Materials for New Optoelectronic Applications: Elastic Properties, Electronic Structures, and Optical Performance From First‐Principles Calculations
- Natural Deep Eutectic Solvents Design Acceleration Using Variational Auto Encoder
- First-principles calculation to investigate phase transition and associated changes in electronic, excitonic, and optical behavior of RbMgH3 perovskite polymorphs
- Electronic properties and nonlinear optical response of praziquantel hemihydrate and its derivatives: characterization via DFT, AIM, and RDG analysis
- Novel Prediction Using TB-mBJ of Electronic Properties, Magnetic Exchange Couplings, and Half-Metallicity in CrCaSe Materials
- Structural stability, induced magnetism and half-metallic band gaps in Cr-substituted GaSb: novel prediction via semi-local potential
- Design of Potent Inhibitors Targeting the Main Protease of SARS-CoV-2 Using QSAR Modeling, Molecular Docking, and Molecular Dynamics Simulations
- Electronic and NLO Performances of Benzohydrazide Derivatives: DFT Investigation and (RDG, AIM) Analysis
- Investigation of NLO properties and molecular docking of 3,5-dinitrobenzoic acid with some benzamide derivatives
- Theoretical investigation of the performance of nonlinear optical properties in Push–pull chromophores derivatives of acrylo–azobenzene
- Investigation of the structural properties and the magneto-electronic performances in new Ba1−xCrxS materials
- Theoretical investigation on the improper hydrogen bond in κ-carrabiose⋯Y (Y = HF, HCl, HBr, NH3, H2O, and H2S) complexes
- Molecular DFT Investigation on the Inclusion Complexation of Benzo[a]pyrene with γ-Cyclodextrin
- First-principles study of electronic structures, thermodynamic, and thermoelectric properties of the new Rattling Full Heusler compounds Ba2AgZ (Z = As, Sb, Bi)
- Recent Insights Into Electronic Performance, Magnetism and Exchange Splittings in the Cr-substituted CaO
- Ferromagnetism, half-metallicity and spin-polarised electronic structures characterisation insights in Ca1−xTixO
- Electronic structures and magnetic performance related to spintronics of Sr0.875Ti0.125S
- Theoretical investigation of electronic performance, half-metallicity, and magnetic properties of Cr-substituted BaTe
- Investigation of the Substituting Effect of Chromium on the Electronic Structures and the Half-Metallic Ferromagnetic Properties of BaO
- First-Principle Predictions of Electronic Properties and Half-Metallic Ferromagnetism in Vanadium-Doped Rock-Salt SrO
- Investigation of electronic structure and half-metallic ferromagnetic behavior with large half-metallic gap in $$\hbox {Sr}_{1-x}\hbox {V}_{x}\hbox {O}$$ Sr 1 - x V x O
- Testing the CP-correction procedure with different DFT methods on H-bonding complexes of κ-carrabiose with water molecules
- First-Principle Study of Electronic and Half-Metallic Ferromagnetic Properties of Vanadium (V)-Doped Cubic BP and InP
- The Doping Effect on Ferromagnetic Arrangement and Electronic Structure of Cubic AlAs with Low Concentration of 3d (V, Cr, and Mn) Impurities
- First-principles study of mechanical, vibrational and thermodynamic properties of magnetic XC compounds (X = Rb, Sr)
- First-principles study of structural, elastic, thermodynamic, electronic and magnetic properties for the quaternary Heusler alloys CoRuFeZ (Z = Si, Ge, Sn)
- Ab-initio study of structural, elastic, thermal, electronic and magnetic properties of quaternary Heusler alloys CoMnCrZ (Z = Al, As, Si, Ge)
- Electronic and Ferromagnetic Properties of 3d(V)-Doped (BaS) Barium Sulfide
- First-principle calculations of electronic and ferromagnetic properties of $$\hbox {Al}_{1-x}\hbox {V}_{x}\hbox {Sb}$$ Al 1 - x V x Sb
- The effect of pressure and alloying on half-metallicity of quaternary Heusler compounds CoMnYZ (Z = Al, Ga, and In)
- A Novel Theoretical Investigation of Electronic Structure and Half-Metallic Ferromagnetism in 3d (V)-Doped InP for Spintronic Applications
- Ab-Initio Investigation of Nowotny Chimney Ladder Silicide Os2Si3 Using the Modified BJ Potential
- First-principle investigation of half-metallic ferromagnetism in octahedrally bonded Cr-doped rock-salt SrS, SrSe, and SrTe
- A novel theoretical design of electronic structure and half-metallic ferromagnetism in the 3d (V)-doped rock-salts SrS, SrSe, and SrTe for spintronics
- First-principles investigations on ferromagnetic behaviour of Be1−xVxZ (Z = S, Se and Te) (x = 0.25)
- Half-Metallic Ferromagnetic Property Related to Spintronic Applications in 3d (V, Cr, and Mn)-Doped GaP DMSs
- Half-metallic ferromagnetic properties of Cr- and V-doped AlP semiconductors
- Ab-initio study of half-metallic ferromagnetism in the XCsSr (X=C, Si, Ge, and Sn) half-Heusler compounds
- Investigations of Electronic Structure and Half-Metallic Ferromagnets in Cr-Doped Zinc-Blende BeS Semiconductor
- First principles study of the electronic structures and magnetic properties of transition metal-doped cubic indium nitride
- Theoretical Predictions of Electronic Structure and Half-Metallic Ferromagnetism in Al1−x Mn x P Diluted Magnetic Semiconductors
- First-Principles Investigation of Half-metallic Ferromagnetism in V-doped BeS, BeSe, and BeTe
- External temperature and pressure effects on thermodynamic properties and mechanical stability of yttrium chalcogenides YX (X=S, Se and Te)
- Origin of ferromagnetism in the half-Heusler XRbCs compounds (X=N, P and As)
- Electronic and optical properties of layered RE2Ti2O7 (RE = Ce and Pr) from first principles
- ELASTIC, ELECTRONIC AND THERMODYNAMIC PROPERTIES OF Rh 3 X ( X = Zr , Nb and Ta ) INTERMETALLIC COMPOUNDS
- First-principle studies of the structural, electronic and optical properties of the intermetallics semiconducting compounds RuAl2, RuGa2 and OsAl2
- Density functional conformational study of 2-O-sulfated 3,6 anhydro-α-D-galactose and of neo-κ- and ι-carrabiose molecules in gas phase and water
- Characterization of β-cyclodextrins and isosorbide diesters self-assemblies: Towards new renewable surfactants
- New supramolecular amphiphiles based on renewable resources
- Relaxed energetic maps of κ‐carrabiose: A DFT study
- In Ga1−N refractive index calculations
- Effect of Al-doping on lithium nickel oxides
Co-authors
- Brahim Khelifa
- Cécile Machut
- C. Mathieu
- Éric Monflier
- J.P. Cavrot
- Zouaoui Chama
- T. Amriou
- Philippe Derreumaux
- Fouzia Belabdelli
- Stéphane Menuel
- Mohamed Bouterfas
- Jonathan Potier
Bibliographic data from OpenAlex (open database).
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