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Software

The members of CoSiNe are involved in both the use and development of high level computational codes.

Within the network, there is a large expertise dealing with codes ranging from classical simulations such as Gromacs and DlPoly, to quantum mechanical software such as CP2K, Siesta and Gamess.

In addition, new software has been developed within Queen's through collaboration with the members of CoSiNe.

EDAMAME

EDAMAME (Ehrenfest DynAMics on Adaptive MEshes) is a time dependent density functional theory, massively parallel computer code It is implemented in a real space, and has been developed in both the ASC and CTAMOP.

D. Dundas, Journal of Chemical Physics,136 194303 (2012)