CECAM Tutorials 2012
In 2012 CECAM is sponsoring 2 tutorials on CPMD. The first one is aimed to a beginner audience, while the second is covering excited states and non-adiabatic MD.
In 2012, CECAM is sponsoring and hosting two tutorials on CPMD.
CPMD basics Tutorial
The first tutorials aims at giving an overview of the basic methods of first-principle molecular dynamics by using plane waves, as in the original CPMD implementation together with a flavor of a few advanced topics, properties calculations, reactive processes, QM/MM methods.
MCTDH and CPMD Tutorial
In the second tutorial, the full nuclear quantum dynamics package MCTDH and the on-the-fly TDDFT-based trajectory surface hopping approach within the CPMD code will be used to fill a void in the training on nonadiabatic quantum dynamic, giving the opportunity to learn aboutthe fundamental theory of these processes and (especially) the available methodological andapplicative tools.
IMPORTANT: People interested in participating to both tutorials will have to fill both applications independently. The participation to one of the two tutorials, does not guarantee, for any reason, the participation to the other one.