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Explores Generalized Langevin Equations and their computational implications in molecular dynamics simulations, emphasizing the impact of noise details on particle trajectories.
Covers the fundamentals and applications of coarse-grained simulations, including advantages, challenges, single-scale simulations, brain modeling techniques, and lipid membrane coarse-graining.
Explores the Non-equilibrium GLE sampling method for atomistic modeling and discusses S-like thermostats, quantum thermostat, anharmonic systems, and zero-point energy leakage.
