Lecture
Equilibrium GLE sampling
Description
This lecture covers Equilibrium Generalized Langevin Equation (GLE) sampling in atomistic modeling, focusing on optimizing sampling efficiency, custom-tailored thermostats, and canonical sampling GLE. The instructor discusses the concept of optimal sampling efficiency, the process of customizing thermostats, and the importance of canonical sampling for high statistical efficiency. The lecture emphasizes fine-tuning molecular dynamics (MD) sampling properties by adjusting GLE parameters and provides insights into pre-optimized parameter sets available online.
Official source
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