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

Sandro Scandolo

Recorded 18 January 2017 in Lausanne, Vaud, Switzerland

Course: High-Performance & High-Throughput Materials Simulations using Quantum ESPRESSO and AiiDA - ICTP Trieste, Jan 2017

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