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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Donor and acceptor characteristics of native point defects in GaN von Xie, Z, Sui, Y, Buckeridge, J, Catlow, CRA, Keal, TW, Sherwood, P, Walsh, A, Farrow, MR, Scanlon, DO, Woodley, SM, Sokol, AA

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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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Buckeridge et al. Reply von Buckeridge, J, Catlow, CRA, Scanlon, DO, Keal, TW, Sherwood, P, Miskufova, M, Walsh, A, Woodley, SM, Sokol, AA

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Demonstration of the donor characteristics of Si and O defects in GaN using hybrid QM/MM von Xie, Z, Sui, Y, Buckeridge, J, Catlow, CRA, Keal, TW, Sherwood, P, Walsh, A, Scanlon, DO, Woodley, SM, Sokol, AA

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Polymorph Engineering of TiO2: Demonstrating How Absolute Reference Potentials Are Determined by Local Coordination von Buckeridge, J, Butler, KT, Catlow, CRA, Logsdail, AJ, Scanlon, DO, Shevlin, SA, Woodley, SM, Sokol, AA, Walsh, A

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Prediction of inorganic crystal framework structures. Part 2: Using a genetic algorithm and a direct approach to exclusion zones von WOODLEY, Scott M

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Structure Prediction of Inorganic Nanoparticles with Predefined Architecture using a Genetic Algorithm von Woodley, Scott M., Sokol, Alexey A., Catlow, C. Richard 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, CRA, Farrow, MR, Logsdail, AJ, Scanlon, DO, Keal, TW, Sherwood, P, Woodley, SM, Sokol, AA, Walsh, A

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Prediction of inorganic crystal framework structures. Part 1: Using a genetic algorithm and an indirect approach to exclusion zones von WOODLEY, Scott M, BATTLE, Peter D, GALE, Julian D, CALLOW, C. Richard A

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Bulk and Surface Simulation Studies of La1-xCaxMnO3 von AKHTAR, M. Javed, CATLOW, C. Richard A., SLATER, Ben, WALKER, Andrew M., WOODLEY, Scott M.

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Supercomputing modelling of advanced materials: preface von Catlow, CRA, De Leeuw, NH, Michaelides, A, Woodley, SM

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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, PA, Kendon, V, Woodley, SM

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Microscopic origin of the optical processes in blue sapphire von Bristow, JK, Parker, SC, Catlow, CRA, Woodley, SM, Walsh, A

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The prediction of inorganic crystal framework structures using excluded regions within a genetic algorithm approach von Woodley, Scott M, Catlow, C Richard A, Battle, Peter D, Gale, Julian D

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Structure prediction of crystals, surfaces and nanoparticles von Woodley, SM, Day, GM, Catlow, R

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Development of a New Interatomic Potential for the Modeling of Ligand Field Effects von Woodley, Scott M, Battle, Peter D, Catlow, C. Richard A, Gale, Julian D

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Oxygen ion migration in orthorhombic LaMnO3−δ von Woodley, Scott M., Gale, Julian D., Battle, Peter D., Catlow, C. Richard A.

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Computer-Simulation Study of the Orthorhombic−Hexagonal Phase Change in Lanthanide Manganates (LnMnO3) von Woodley, Scott M, Battle, Peter D, Gale, Julian D, Catlow, C. Richard 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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