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Force field Out-of-equilibrium dynamic properties Thin films Layered compounds Quantum nuclear effects Couches minces ZnO Metal oxide nanoparticles Lithium-ion batteries Silver Nucleation Chemical bonding 7322−f Phonons Grazing incidence X-ray diffraction Iron aluminide Oxygen Faceting Magnetic properties and materials Density functional calculations Spinel Magnetron sputtering Surface science Intercalation compounds Density functional theory Model catalyst Vibrational spectroscopy Structure Oxidation Defects Argent Adsorption Carbon Local structure XPS Iron compounds Li-ion batteries Antibacterial activity NANOKIN code Ab initio calculations Magnesium oxides Iron Nanostructures Scanning tunneling microscopy Nucleation and growth Solid-state dewetting Chemisorption Metals Optical properties Heterogeneous catalysis Oxides MgO FTIR spectroscopy Magnetic properties Lithium compounds FTIR Conduction bands Magnesium oxide Phospho-olivines Photoemission Clusters Lithium batteries Effets quantiques nucléaires Microstructure Carbon monoxide oxidation EPR Lattice dynamics Ultra-thin films Metal/oxide interface Magnesium compounds Path integrals III-V semiconductors DFT Water Molecular dynamics Raman spectra Olivine Edgeworth expansion Nanoparticles Segregation Interfaces Nanocrystal Gold nanoparticles Raman spectroscopy Quantum thermal bath Computer simulation Platinum Monolayers Miscibility gap Palladium Nuclear quantum effects Intégrales de chemin Metal-insulator boundaries GISAXS X-ray diffraction Numerical simulation studies Cobalt Magnetic properties of nanostructures Dioxyde de titane Grazing incidence small angle X-ray scattering