First-principles calculations of the elastic constants of the cubic, orthorhombic and hexagonal phases of BaF2 PWO Nyawere, NW Makau, GO Amolo Physica B: Condensed Matter 434, 122-128, 2014 | 19 | 2014 |
Ab-initio calculation of formation and migration energies of intrinsic defects in BaF2 PWO Nyawere, S Scandolo, NW Makau, GO Amolo Solid state communications 179, 25-28, 2014 | 7 | 2014 |
First-Principles calculations to investigate the mechanical structure and optical properties of lead halide perovskite CH3NH3PbI3 TJ Kipkwarkwar, PWO Nyawere, CM Maghanga Advances in Condensed Matter Physics 2022, 1-9, 2022 | 6 | 2022 |
Ab initio study of pressure induced phase transition, structural and electronic structure properties of superconducting perovskite compound GdBa2Cu3O7-x JO Agora, C Otieno, PWO Nyawere, GS Manyali Computational Condensed Matter 23, e00461, 2020 | 5 | 2020 |
Ab initio high-pressure study of semiconductor-metal phase transition of the chalcogenide compound KPSe6 PJ Jomo, CO Otieno, PWO Nyawere Advances in Condensed Matter Physics 2020, 1-9, 2020 | 3 | 2020 |
First-principles calculations of structural, electronic and elastic properties of tysonite lanthanum fluoride (LaF3) PWO Nyawere, DB Barasa, E Nafulawabululu Journal of Research in Environmental and Earth Science, 2018 | 2 | 2018 |
Ab initio calculations of electronic and mechanical properties of orthorhombic phase of BaF2 PWO Nyawere, NW Makau, GO Amolo The African Review of Physics, 2014 | 2 | 2014 |
Elastic behavior, pressure-induced doping and superconducting transition temperature of GdBa2Cu3O7− x JO Agora, C Otieno, PWO Nyawere, GS Manyali Journal of Physics Communications 6 (1), 015004, 2022 | 1 | 2022 |
First Principles Study of Negative Thermal Expansion (NTE) in Manganese Nitride materials: Mn3AN (A= Al, Ga, Zn) N Langat, P Nyawere, E Wabululu Kabarak Journal of Research & Innovation 13 (3), 88-98, 2023 | | 2023 |
The First-principles calculation of elastic and electronic structure properties of hexagonal Antiperovskite-type carbides XCCr3 (X= Al, Ga or Zn) materials DN Maina, P Nyawere, E Wabululu Kabarak Journal of Research & Innovation 13 (2), 28-37, 2023 | | 2023 |
Low Born effective Charges, High Covalency and Strong Optical Activity in $ X_3^{2+} $ Bi $^{3-} $ N $^{3-} $($ X $= Ca, Sr, Ba) $ inverse $-perovskites J Wakini, C Songa, S Chege, FO Saouma, E Wabululu, PW Nyawere, ... arXiv preprint arXiv:2203.00359, 2022 | | 2022 |
First Principle Study of the Mechanical Properties and Phonon Dispersion of the Iron Pnictide Compound EuFe2As2 NK Omboga, CO Otieno, PWO Nyawere The Scientific World Journal 2020, 1-6, 2020 | | 2020 |
ab Initio Study of Electronic Structure Properties of Lead Halide Perovskites for Optical Performance of Solar Cell TJ Kipkwarkwar, P Nyawere, C Maghanga KABARAK UNIVERSITY, 2019 | | 2019 |
Parameterized Empirical Potentials For BaF2 From Ab-Initio Methods Applied To The Study Of Superionic Transition Of C-BaF2 PWO Nyawere Journal of Multidisciplinary Engineering Science and Technology (JMEST), 2018 | | 2018 |
FIRST PRINCIPLES ELECTRONIC STRUCTURE CALCULATIONS OF BaF2 AND GENERATION OF PARAMETRIZED POTENTIAL FOR MOLECULAR DYNAMICS STUDY OF THE SUPERIONIC PROPERTIES OF c-BaF2 W PHILLIP | | 2016 |
Specific heat jump and transition temperature T C for La 2-x Ba x CuO 4, Bi 2 Ca n-1 Sr n Cu n O 2n+ 3 and Tl 2 Ca n-1 Ba 2 Cu n O 2n+ 3 (2n+ 4) superconductors PW Nyawere, KM Khanna NISCAIR-CSIR, India, 2011 | | 2011 |
First-principles Study of Electronic Properties of Dimethyl-Ammonium Tin Triidostanate (II) Perovskite for Photo-voltaic Application in Solar Cell PJ Chemaoi, PWO Nyawere, CM Maghanga | | |
Scientific Research Through Simulation in Africa: Role of HPC in Computational Material Studies EN Wabululu, PWO Nyawere, DB Bem | | |