Computational methods in atomic collision theory

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We will develop computational methods for solving interactions between particles on the atomic scale. Computational problems, of particular interest to the industry partner, are the treatment of large-scale ill-conditioned linear systems, and the extension of the Gaussian molecular structure package to collision physics. We have been world-leaders in the field of atomic collision theory for almost a decade, and now, utilising the latest software and hardware, will have the capacity to extend the numerical techniques to a vast range of collision systems of interest to science and industry, where visualisation and sheer computer power will play a major role in both code development and production runs.