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Displaying 11 authors out of 11
Dynamical QM/MM simulations with adaptive quantum zones
Practical Session with QUIPPY: QM/MM MD of fracture in Silicon (1)
Practical Session with QUIPPY: QM/MM MD of fracture in Silicon (1)
Practical Session with QUIPPY: QM/MM MD of fracture in Silicon (2)
Practical Session with QUIPPY: QM/MM MD of fracture in Silicon (2)
Exploring the phase space: fundamentals of statistical mechanics
Fundamentals of QM/MM simulations
Embedding strategies in QM/MM simulations
Phase space sampling with Replica Exchange simulations
Practical Session with LAMMPS: Free energy of adsorption at solid/liquid interfaces (1)
Practical Session with LAMMPS: Free energy of adsorption at solid/liquid interfaces (1)
Practical Session with LAMMPS: Free energy of adsorption at solid/liquid interfaces (2)
Practical Session with LAMMPS: Free energy of adsorption at solid/liquid interfaces (2)
Fundamentals of electronic structure based materials simulations
Free energy calculations with Molecular Dynamics
Phase space sampling with Metadynamics simulations
Fundamentals of classical Molecular Dynamics
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Organizers

L. Colombi Ciacchi (University of Bremen). Local organizer: S. Scandolo (ICTP)