In order to incorporate fermions in the lattice QCD, Hybrid Monte Carlo(HMC) is the standard method[1], but in the case of large lattice, the method is not free from problems caused by rounding errors[2]. The Langevin simulation is another possible method to simulate fields including fermions with or without gauge fixing. The discretized Langevin simulation results depend on the step size t, an...

We study a Dirichlet boundary value problem for Langevin equation involving two fractional orders. Langevin equation has been widely used to describe the evolution of physical phenomena in fluctuating environments. However, ordinary Langevin equation does not provide the correct description of the dynamics for systems in complex media. In order to overcome this problem and describe dynamical pr...

We employ a multiscale approach to model the translocation of biopolymers through nanometer size pores. Our computational scheme combines microscopic Langevin molecular dynamics (MD) with a mesoscopic lattice Boltzmann (LB) method for the solvent dynamics, explicitly taking into account the interactions of the molecule with the surrounding fluid. Both dynamical and statistical aspects of the tr...

We present a dynamical technique for sampling the canonical measure in molecular dynamics. The method controls temperature by use of a device similar to that of Nosé dynamics, but adds random noise to improve ergodicity. In contrast to Langevin dynamics, where noise is added directly to each physical degree of freedom, our method relies on an indirect coupling to a single Brownian particle. For...

The molecular mechanisms in both vibrational relaxation and proton transfer (PT) associated with infrared (IR)-induced PT in a dilute hydrofluoric acid solution at ambient temperature are studied by molecular dynamics (MD) simulations with the multistate empirical valence bond model. To investigate the solvation dynamics, a collective solvent coordinate and its perpendicular bath modes are defi...