L. Ghalouci

TL;DR: In this paper, the structural, electronic, elastic and thermodynamic properties of cubic NaTaO3 and KTaOO3 by Density Functional Theory method (DFT) using the full potential linearized augmented plane wave with local orbital (FP-LAPW)+lo.

TL;DR: In this paper, the authors used all-electron self consistent Full Potential Linearised Augmented Plane Waves (FP-LAPWs) method mixed with APW+lo and Local Orbital (LO) alternatives within generalised gradient density approximation to study crystalline Gallium Selenide (GaSe) in the rock salt (B1), CsCl (B2), Zinc blende (B3), Wurtzite (B4), β (D 6 h 4 ) and e (D 3 h 1 ) structures.

TL;DR: In this paper, the authors used the first generation SPASIBA force field to study normal vibrational modes of PMMA, and then extended to other thermoplastic polymers, namely PMA, PMAA and PAA, in order to determine its parameters transferability.

TL;DR: In this paper, all-electron self-consistent full potential augmented plane waves+local orbital method (FP-APW+lo) within generalized gradient density approximation (GGA) was used to study crystalline Indium Selenide (InSe) compound at low pressure (hexagonal), high pressure (cubic) and high pressure -high temperature (monoclinic) phases.

TL;DR: Ghalouci et al. as discussed by the authors performed a theoretical analysis of KTaO3 compound using the full-potential linear augmented plane-wave method plus local orbitals (FP-APW+lo) as implemented in the Wien2k code.