Determination of the nitrogen vacancy as a shallow compensating center in GaN doped with divalent metals von Buckeridge, J, Catlow, C R A, Scanlon, D O, Keal, T W, Sherwood, P, Miskufova, M, Walsh, A, Woodley, S M, Sokol, A A

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Structure and Stability of Small TiO2 Nanoparticles von Hamad, S, Catlow, C. R. A, Woodley, S. M, Lago, S, Mejías, J. A

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Structure prediction of nanoclusters; a direct or a pre-screened search on the DFT energy landscape? von Farrow, M. R, Chow, Y, Woodley, S. M

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Advances in computational studies of energy materials von Catlow, C. R. A., Guo, Z. X., Miskufova, M., Shevlin, S. A., Smith, A. G. H., Sokol, A. A., Walsh, A., Wilson, D. J., Woodley, S. M.

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Buckeridge et al. Reply von Buckeridge, J, Catlow, C R A, Scanlon, D O, Keal, T W, Sherwood, P, Miskufova, M, Walsh, A, Woodley, S M, Sokol, A A

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Double bubbles: a new structural motif for enhanced electron-hole separation in solids von Sokol, A. A, Farrow, M. R, Buckeridge, J, Logsdail, A. J, Catlow, C. R. A, Scanlon, D. O, Woodley, S. M

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Structure prediction of titania phases: Implementation of Darwinian versus Lamarckian concepts in an Evolutionary Algorithm von Woodley, S.M., Catlow, C.R.A.

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Bubbles and microporous frameworks of silicon carbide von Watkins, M B, Shevlin, S A, Sokol, A A, Slater, B, Catlow, C R A, Woodley, S M

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Quantum computing and materials science: A practical guide to applying quantum annealing to the configurational analysis of materials von Camino, B., Buckeridge, J., Warburton, P. A., Kendon, V., Woodley, S. M.

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Electronic and Optical Properties of Doped and Undoped (TiO2) n Nanoparticles von Shevlin, S. A, Woodley, S. M

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Construction of nano- and microporous frameworks from octahedral bubble clusters von Woodley, S M, Watkins, M B, Sokol, A A, Shevlin, S A, Catlow, C R A

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Structure, optical properties and defects in nitride (III-V) nanoscale cage clusters von Shevlin, S A, Guo, Z X, van Dam, H J J, Sherwood, P, A Catlow, C R, Sokol, A A, Woodley, S M

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Properties of small TiO2, ZrO2 and HfO2 nanoparticles von Woodley, S M, Hamad, S, Mejias, J A, Catlow, C R A

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Computer Modeling Study of the Lithium Ion Distribution in Quaternary Li–Mn–Fe–O Spinels von Woodley, S.M., Catlow, C.R.A., Piszora, P., Stempin, K., Wolska, E.

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Structure Prediction of Ternary Oxide Sub-Nanoparticles von Woodley, S.M.

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One-dimensional embedded cluster approach to modeling CdS nanowires von Buckeridge, J, Bromley, S T, Walsh, A, Woodley, S M, Catlow, C R A, Sokol, A A

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The prediction of inorganic crystal structures using a genetic algorithm and energy minimisation von WOODLEY, S. M, BATTLE, P. D, GALE, J. D, CATLOW, C. R. A

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Deep vs shallow nature of oxygen vacancies and consequent n -type carrier concentrations in transparent conducting oxides von Buckeridge, J., Catlow, C. R. A., Farrow, M. R., Logsdail, A. J., Scanlon, D. O., Keal, T. W., Sherwood, P., Woodley, S. M., Sokol, A. A., Walsh, A.

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Buckeridge et al. Reply von Buckeridge, J., Catlow, C. R A, Scanlon, D. O., Keal, T. W., Sherwood, P., Miskufova, M., Walsh, A., Woodley, S. M., Sokol, A. A.

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Determination of the Nitrogen Vacancy as a Shallow Compensating Center in GaN Doped with Divalent Metals von Buckeridge, J., Catlow, C. Richard A., Scanlon, D O, Keal, T.W., Sherwood, P., Miskufova, M, Walsh, Aron, Woodley, S M, Sokol, A A

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