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Contribution

ICTP - Adriatico Guest House - Kastler Lecture Hall

Basics of ab-initio Molecular Dynamics: dynamics on the Born-Oppenheimer surface, energy conservation, ensembles, thermostats and barostats

Speakers

  • S. SCANDOLO

Organizers

Stefano Baroni (SISSA), Matteo Cococcioni (EPFL), Stefano de Gironcoli (SISSA), Andrea Ferretti (CNR-NANO), Paolo Giannozzi (University of Udine), Nicola Marzari (EPFL), Local Organisers: Ralph Gebauer, Ivan Girotto

Co-sponsors