Publications

M. O Connor, H. M. Deeks, E. Dawn, O. Metatla, A. Roudaut, M. Sutton, B. R. Glowacki, R. Sage, P. Tew, M. Wonnacott, P. Bates, A. J. Mulholland, D. R. Glowacki, “Sampling molecular conformations and dynamics in a multi-user virtual reality framework”, 2018, arXiv:1801.02884, Science Advances, accepted.

A. Sisto, C. Stross, M. van der Kamp, M. O’Connor, S. McIntosh-Smith, G. T. Johnson, E. G. Hohenstein, F. R. Manby, T. J. Martinez, D. R. Glowacki, “Atomistic absorption spectra and non-adiabatic dynamics of the LH2 complex with a GPU-accelerated ab initio exciton model”, Physical Chemistry Chemical Physics (2017), 19, 14924

nanotube-trail-pic.pngM. 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

 

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)

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

Advertisements

Leave a Reply

Fill in your details below or click an icon to log in:

WordPress.com Logo

You are commenting using your WordPress.com account. Log Out /  Change )

Google+ photo

You are commenting using your Google+ account. Log Out /  Change )

Twitter picture

You are commenting using your Twitter account. Log Out /  Change )

Facebook photo

You are commenting using your Facebook account. Log Out /  Change )

w

Connecting to %s