The adsorption of halogen molecules on Ti (110) surface von Tshwane, D. M., Modiba, R., Govender, G., Ngoepe, P. E., Chauke, H. R.

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Effect of transition metal doping on Cr–Ru alloys using first principles approach von Mnisi, B O, Benecha, E M, Chauke, H R, Ngoepe, P E, Tibane, M M

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Structural, elastic and electronic properties of equiatomic PtTi as potential high-temperature shape memory alloy von Mahlangu, R., Phasha, M.J., Chauke, H.R., Ngoepe, P.E.

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First-principles studies on the structural, electronic and mechanical properties of L1o and L12 FexPt1-x alloys von Lethole, N L, Chauke, H R, Ngoepe, P E

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Mechanical properties and stability of TiPt-M (M = Ru, Co, Cu, Zr and Hf) for high temperature applications von Mashamaite, M P, Chauke, H R, Ngoepe, P E

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First principle study of HF molecule adsorption on TiO2 (110) surface von Tshwane, D M, Modiba, R, Chauke, H R, Govender, G, Ngoepe, P E

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Thermodynamic stability of doped FeAl-X (X = Pd, Ag, Pt and Ru) systems von Mkhonto, C S, Chauke, H R, Ngoepe, P E

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Computational study of binary titanium-based potential shape memory alloys von Baloyi, M E, Modiba, R, Chauke, H R, Ngoepe, P E

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Thermodynamic stability and pressure dependence of FePO4 polymorphs von Lethole, N.L., Chauke, H.R., Ngoepe, P.E.

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Theoretical investigation of the Pt3Al ground state von Chauke, H.R., Minisini, B., Drautz, R., Nguyen-Manh, D., Ngoepe, P.E., Pettifor, D.G.

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Computational modelling of Ti50Pt 50-XVx potential shape memory alloys von Modiba, R, Baloyi, E, Chikosha, S, Chauke, H R, Ngoepe, P E

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Martensitic Transformation Behaviour of Ti50Pt50-xCox Shape Memory Alloys von Mahlangu, Rosinah, Ngoepe, P.E., Chauke, Hasani

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Computational modelling studies for high temperature monazite systems von Motsomone, L, Diale, RG, Ngoepe, PE, Koen, R, Chauke, HR

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Structural and stability of B2 FeCo1-XVX and Fe1-XCoVX systems: Cluster expansion approach von Ledwaba, TM, Diale, RG, Ngoepe, PE, Chauke, HR

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The effect of doping with pt impurity on ti clusters: a density functional theory study von Phaahla, TM, Ngoepe, PE, Catlow, RA, Chauke, HR

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Adsorption-desorption of F2 diatomic molecule on Ti (100) surface at different coverages von Tshwane, DM, Modiba, R, Govender, G, Ngoepe, PE, Chauke, HR

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Density functional theory study of MnO2, TiO2 and VO2 von Maenetja, KP, Chauke, HR, Ngoepe, PE

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Theoretical investigation of the Pt sub(3)Al ground state von Chauke, H R, Minisini, B, Drautz, R, Nguyen-Manh, D, Ngoepe, P E, Petti, D G

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The Thermal Agitated Phase Transitions on the Ti-32 Nanocluster: a Molecular Dynamics Simulation Study von Phaahla, TM, Sokol, AA, Catlow, CRA, Woodley, SM, Ngoepe, PE, Chauke, HR

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First-principles studies of Fe-Al-X (X=Pt, Ru) alloys von Mkhonto, CS, Chauke, HR, Ngoepe, PE

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