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Publisher: Elsevier

Volume 184, Number 12, 2013

Inside front cover
pp. IFC-IFC(1)

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On eliminating synchronous communication in molecular simulations to improve scalability
pp. 2634-2640(7)
Authors: Straatsma, T. P.; Chavarria-Miranda, D. G.

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GPU-accelerated Gibbs ensemble Monte Carlo simulations of Lennard-Jonesium
pp. 2662-2669(8)
Authors: Mick, J.; Hailat, E.; Russo, V.; Rushaidat, K.; Schwiebert, L.; Potoff, J.

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Elimination of the linearization error and improved basis-set convergence within the FLAPW method
pp. 2670-2679(10)
Authors: Michalicek, G.; Betzinger, M.; Friedrich, C.; Blugel, S.

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An efficient method of DFT/LDA band-gap correction
pp. 2680-2683(4)
Authors: Scharoch, P.; Winiarski, M.

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A small box Fast Fourier Transformation method for fast Poisson solutions in large systems
pp. 2693-2702(10)
Authors: Jiang, X. W.; Li, S. S.; Wang, L. W.

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MMonCa: An Object Kinetic Monte Carlo simulator for damage irradiation evolution and defect diffusion
pp. 2703-2710(8)
Authors: Martin-Bragado, I.; Rivera, A.; Valles, G.; Gomez-Selles, J. L.; Caturla, M. J.

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Molecular dynamics-based unstructured grid generation method for aerodynamic applications
pp. 2711-2727(17)
Authors: Zheleznyakova, A. L.; Surzhikov, S. T.

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Parallelisation of the Lagrangian atmospheric dispersion model NAME
pp. 2734-2745(12)
Authors: Muller, E. H.; Ford, R.; Hort, M. C.; Huggett, L.; Riley, G.; Thomson, D. J.

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Potts model with q=3 and 4 states on directed small-world network
pp. 2746-2750(5)
Authors: da Silva, P. R.; Lima, F. W.; Costa Filho, R. N.

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Factorization in large-scale many-body calculations
pp. 2761-2774(14)
Authors: Johnson, C. W.; Ormand, W. E.; Krastev, P. G.

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Huge-scale molecular dynamics simulation of multibubble nuclei
pp. 2775-2784(10)
Authors: Watanabe, H.; Suzuki, M.; Ito, N.

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Monte Carlo integration with subtraction
pp. 2794-2802(9)
Authors: Arthur, R.; Kennedy, A. D.

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Rivet user manual
pp. 2803-2819(17)
Authors: Buckley, A.; Butterworth, J.; Grellscheid, D.; Hoeth, H.; Lonnblad, L.; Monk, J.; Schulz, H.; Siegert, F.

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FIRE4, LiteRed and accompanying tools to solve integration by parts relations
pp. 2820-2827(8)
Authors: Smirnov, A. V.; Smirnov, V. A.

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CUGatesDensity-Quantum circuit analyser extended to density matrices
pp. 2834-2839(6)
Authors: Loke, T.; Wang, J. B.

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An atomistic geometrical model of the B-DNA configuration for DNA-radiation interaction simulations
pp. 2840-2847(8)
Authors: Bernal, M. A.; Sikansi, D.; Cavalcante, F.; Incerti, S.; Champion, C.; Ivanchenko, V.; Francis, Z.

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BEEC: An event generator for simulating the Bc meson production at an e^+e^- collider
pp. 2848-2855(8)
Authors: Yang, Z.; Wu, X. G.; Wang, X. Y.

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g_contacts: Fast contact search in bio-molecular ensemble data
pp. 2856-2859(4)
Authors: Blau, C.; Grubmuller, H.

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BACHSCORE. A tool for evaluating efficiently and reliably the quality of large sets of protein structures
pp. 2860-2865(6)
Authors: Sarti, E.; Zamuner, S.; Cossio, P.; Laio, A.; Seno, F.; Trovato, A.

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