Explores the quasi-stationary distribution approach in molecular dynamics modeling, covering Langevin dynamics, metastability, and kinetic Monte Carlo models.
Explores the Non-equilibrium GLE sampling method for atomistic modeling and discusses S-like thermostats, quantum thermostat, anharmonic systems, and zero-point energy leakage.
Explores the trends and challenges in modeling complex molecular systems using hierarchical multi-scale approaches, covering length-time scales, atomistic simulations, and force matching techniques.
