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The Generalised Langevin Equation (GLE) method, as developed in Ref. [Phys. Rev. B 89, 134303 (2014)], is used to calculate the dissipative dynamics of systems described at the atomic level. The GLE scheme goes beyond the commonly used…

We extend the Generalised Langevin Equation (GLE) method [Phys. Rev. B 89, 134303 (2014)] to model a central classical region connected to two realistic thermal baths at two different temperatures. In such nonequilibrium conditions a heat…

The Generalized Langevin Equation (GLE) has been recently suggested to simulate the time evolution of classical solid and molecular systems when considering general non-equilibrium processes. In this approach, a part of the whole system (an…

Generalized Langevin Equation (GLE) thermostats have been used very effectively as a tool to manipulate and optimize the sampling of thermodynamic ensembles and the associated static properties. Here we show that a similar, exquisite level…

A wide variety of dissipative and fluctuation problems involving a quantum system in a heat bath can be described by the independent-oscillator (IO) model Hamiltonian. Using Heisenberg equations of motion, this leads to a generalized…

A system-bath entanglement theorem (SBET) with Gaussian environments was established previously in J. Chem. Phys. 152, 034102 (2020) in terms of linear response functions. This theorem connects the system-bath entanglement responses to the…

We derive a $c-$number Generalised Langevin Equation (GLE) describing the evolution of the expectation values $\left\langle x_{i}\right\rangle_{t}$ of the atomic position operators $x_{i}$ of an open system. The latter is coupled linearly…

The modelling of quantum heat transfer processes at the nanoscale is crucial for the development of energy harvesting and molecular electronics devices. Herein, we adopt a mixed quantum-classical description of a device, in which the open…

The Generalized Langevin Equation (GLE) can be derived from a particle-bath Hamiltonian, in both classical and quantum dynamics, and provides a route to the (both Markovian and non-Markovian) fluctuation-dissipation theorem (FDT). All…

We use a Generalised Langevin Equation (GLE) scheme to study the thermal transport of low dimensional systems. In this approach, the central classical region is connected to two realistic thermal baths kept at two different temperatures [H.…

Open quantum systems with nearly degenerate energy levels have been shown to exhibit long-lived metastable states in the approach to equilibrium, even when modelled with certain Lindblad-form quantum master equations. This is a result of…

Fundamental understanding of complex dynamics in many-particle systems on the atomistic level is of utmost importance. Often the systems of interest are of macroscopic size but can be partitioned into few important degrees of freedom which…

The dissipative dynamics of a quantum bistable system coupled to a Ohmic heat bath is investigated beyond the spin-boson approximation. Within the path-integral approach to quantum dissipation, we propose an approximation scheme which…

A parametrized double-well potential is proposed to address the issue of the impact of shape deformability of some bistable physical systems, on their quantum dynamics and classical statistical mechanics. The parametrized double-well…

The conventional Langevin equation offers a mathematically convenient framework for investigating open stochastic systems interacting with their environment or a bath. However, it is not suitable for a wide variety of systems whose dynamics…

Open system dynamics in a classical setting is microscopically governed by the structure of the thermal environment which influences the dynamics of the probe particle (free or in an external potential). Nonlinear baths have recently been…

A study of the dynamics of a tunneling particle in a driven bistable potential which is moderately-to-strongly coupled to a bath is presented. Upon restricting the system dynamics to the Hilbert space spanned by the M lowest energy…

Generalized Hydrodynamics (GHD) has recently been devised as a method to solve the dynamics of integrable quantum many-body systems beyond the mean-field approximation. In its original form, a major limitation is the inability to predict…

Coarse-grained Langevin-type effective field equations are derived for classical systems of particles. These equations include the effects of thermal fluctuation and dissipation which may arise from coupling to an external bath, as in the…

We present a model in which the immediate environment of a bistable system is a molecular chain which in turn is connected to a thermal environment of the Langevin form. The molecular chain consists of masses connected by harmonic or by…