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Nonadiabatic quantum dynamics with MCTDH and CPMD (CECAM HQ, Lausanne, from May 10, 2012 08:00 AM to May 12, 2012 06:00 PM)

In this 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.

Events

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CPMD Tutorial 2012 (CECAM HQ, Lausanne, from May 07, 2012 08:00 AM to May 09, 2012 06:00 PM)

CPMD Tutorial at CECAM

Hybrid Quantum Mechanics / Molecular Mechanics (QM/MM) Approaches to Biochemistry (and beyond) (Lausanne - Switzerland, from Feb 14, 2011 08:00 AM to Feb 18, 2011 05:00 PM)

A tutorial to learn the QM/MM capabilities of CPMD

CPMD Meeting 2011 (Barcelona, from Sep 05, 2011 08:00 AM to Sep 09, 2011 08:00 PM)

CPMD2011: Extending the limits of Ab initio Molecular Dynamics Simulations for Materials Science and Biophysics