Molecular Dynamics Simulation
by Giovanni Ciccotti, Mauro Ferrario, Christof Schuette
Publisher: MDPI AG 2014
Number of pages: 628
The contributions collected in this book move from the quantum-statistical description to the validity of classical modeling; they present some perspectives in the algorithmic and in the enhanced sampling approaches, tackling some longstanding challenges to simulation in the area of non-equilibrium, rare events, mesoscale and quantum-classical simulation.
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