Explores sampling the canonical ensemble, temperature fluctuations, extended Lagrangian, and Maxwell-Boltzmann distribution in molecular dynamics simulations.
Explores the microcanonical and canonical ensembles, historical contributions, macrostates, microstates, and particle arrangements in statistical thermodynamics.
Explores statistical symmetries in random fields, emphasizing stationarity and homogeneity under various transformations and their practical implications.
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 challenges in identifying useful metastable materials and discusses concepts like structure predictions, ensemble probabilities, and mapping algorithms.
