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Quantum Espresso Workshop


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Posted on 16 March 2010

ICHEC and the Tyndall National Institute are together organising a workshop on the theory and practical use of Quantum ESPRESSO, an integrated suite of computer codes for electronic structure calculations and materials modelling at the nanoscale level.

Quantum ESPRESSO is an initiative of the DEMOCRITOS National Simulation Center (Trieste), of SISSA (Trieste) and of their partners, in colaboration with CINECA National Supercomputing Center in Bologna, the Ecole Polytechnique Fédérale de LausannePrinceton University, the Massachusetts Institute of Technology and Oxford University.

Topics that will be covered at the workshop are to come from a range of contemporary Quantum ESPRESSO applications: from simple electronic structure calculations, equilibrium structure and reaction paths search, to the most sophisticated theoretical spectroscopies such as nuclear magnetic resonance (NMR), electron paramagnetic resonance (EPR), optical absorption, Raman and scanning tunnel microscopy, etc.

Full details can be found here.

 

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