Cost-effective composite methods for large-scale solid-state calculations von Donà, L, Brandenburg, J. G, Bush, I. J, Civalleri, B

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Realistic Models of Hydroxylated Amorphous Silica Surfaces and MCM-41 Mesoporous Material Simulated by Large-scale Periodic B3LYP Calculations von Ugliengo, P., Sodupe, M., Musso, F., Bush, I. J., Orlando, R., Dovesi, R.

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Practical methods for ab initio calculations on thousands of atoms von Bowler, D. R., Bush, I. J., Gillan, M. J.

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Terascale materials modelling on high performance system HPCx von Plummer, M., Hein, J., Guest, M. F., D'Mellow, K. J., Bush, I. J., Refson, K., Pringle, G. J., Smith, L., Trew, A.

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The density of states of a spatially disordered system: theory compared with simulation von Bush, I J, Logan, D E, Madden, P A, Winn, M D

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Linear-scaling DFT-pseudopotential calculations on parallel computers von Goringe, C.M., Hernández, E., Gillan, M.J., Bush, I.J.

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Parallel implementation of the ab initio CRYSTAL program: electronic structure calculations for periodic systems von Bush, I. J., Tomić, S., Searle, B. G., Mallia, G., Bailey, C. L., Montanari, B., Bernasconi, L., Carr, J. M., Harrison, N. M.

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The EMA for a two-band spatially disordered system: comparison of simulation with theory von Bush, I J, Logan, D E, Madden, P A, Winn, M D

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Coupled perturbed Kohn-Sham calculation of static polarizabilities of periodic compounds von Ferrero, M, Rérat, M, Orlando, R, Dovesi, R, Bush, I J

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Synchronous phase detection for optical fiber interferometric sensors von Bush, I J, Phillips, R L

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Acoustic desensitization of single-mode fibers utilizing nickel coatings von Lagakos, N, Bush, I J, Cole, J H, Bucaro, J A, Skogen, J D, Hocker, G B

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Parallel implementation of the ab initio CRYSTAL program: electronic structure calculations for periodic systems von Bush, IJ, Tomic, S, Searle, BG, Mallia, G, Bailey, CL, Montanari, B, Bernasconi, L, Carr, JM, Harrison, NM

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Introducing k-point parallelism into VASP von Maniopoulou, A, Davidson, ERM, Grau-Crespo, R, Walsh, A, Bush, IJ, Catlow, CRA, Woodley, SM

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Terascale materials modelling on high performance system HPCx: High performance computing in materials chemistry von PLUMMER, M, HEIN, J, GUEST, M. F, D'MELLOW, K. J, BUSH, I. J, REFSON, K, PRINGLE, G. J, SMITH, L, TREW, A

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Materials and Molecular Modelling at the Exascale von Keal, TW, Elena, AM, Sokols, A, Stoneham, K, Probert, MIJ, Cucinotta, CS, Willock, DJ, Logsdail, A, Zen, A, Hasnip, PJ, Bush, IJ, Watkins, M, Alfe, D, Skylaris, C-K, Curchod, BFE, Cai, Q, Woodley, S

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HPCx: towards capability computing von Ashworth, Mike, Bush, Ian J., Guest, Martyn F., Sunderland, Andrew G., Booth, Stephen, Hein, Joachim, Smith, Lorna, Stratford, Kevin, Curioni, Alessandro

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Large scale electronic structure calculations in the study of the condensed phase von Dam, H.J.J. van, Guest, M.F., Sherwood, P., Thomas, J.M.H., Lenthe, J.H. van, Lingen, J.N.J van, Bailey, C.L., Bush, I.J.

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Stability of rocksalt polar surfaces: An ab initio study of MgO(111) and NiO(111) von Wander, A, Bush, IJ, Harrison, NM

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A Synchronous Phase-Detection System for an Optical Interferometric Sensor von Bush, I J

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Introducing k-point parallelism into VASP von Maniopoulou, A, Davidson, ERM, Grau-Crespo, R, Walsh, A, Bush, IJ, Catlow, CRA, Woodley, SM

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