Symmetries and Geometrical Properties of Dynamical Fluctuations in Molecular Dynamics

摘要: We describe some general results that constrain the dynamical fluctuations can occur in non-equilibrium steady states, with a focus on molecular dynamics. That is, we consider Hamiltonian systems, coupled to external heat baths, and driven out of equilibrium by non-conservative forces. probabilities rare events (large deviations). First, discuss PT (parity-time) symmetry appears ensembles trajectories where current is constrained have large (non-typical) value. analyse flow such ensembles, compare it states. Second, pathwise deviations are defined considering many copies system. show how probability currents systems be decomposed into orthogonal contributions, related convergence dissipation. implications these for modelling