Publications

 

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M. O’Connor, R. Sage, P. Tew, S. McIntosh-Smith, & D. R. Glowacki, “The Nano Simbox: using virtual reality to interactively steer scientific simulations on high-performance computational architectures”, Supercomputing 2016, accepted
M. O’Connor, E. Paci, S. McIntosh-Smith, and D. R. Glowacki, “Adaptive boxed molecular dynamics in multidimensional collective variable space,”  Faraday Discussions (2016), DOI: 10.1039/C6FD00138F

J.N. Harvey, M. O’Connor, and D.R. Glowacki, “Empirical Valence Bond Methods for Exploring Reaction Dynamics in the Gas Phase and in Solution”, From Physical Chemistry to Chemical Biology: Theory and Applications of the Empirical Valence Bond Approach (Imperial College Press, London), in press

stretching-compressing-sequenceD. R. Glowacki, M. O’Connor, G. Calabró, J. Price, P. Tew, T. Mitchell, J. Hyde, D. P. Tew, D. J. Coughtrie, S. McIntosh-Smith, “A GPU-accelerated immersive audiovisual framework for interactive molecular dynamics using consumer depth sensors,” Faraday Discussion 169, 2014, 63 – 89, open access

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