Computational methods in atomic collision theory. 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 ....Computational methods in atomic collision theory. 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
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