Related papers: Evolution of a Non-Hermitian Quantum Single-Molecu…
We propose a new method for simulating electron dynamics in open quantum systems out of equilibrium, using a finite atomistic model. The proposed method is motivated by the intuitive and practical nature of the driven Liouville von-Neumann…
The model quantum system of fermions in a one dimensional harmonic oscillator potential is investigated by a molecular dynamics method at constant temperature. Although in quantum mechanics the equipartition theorem cannot be used like in…
Phase transitions are fundamental in nature. A small parameter change near a critical point leads to a qualitative change in system properties. Across a regular phase transition, the system remains in thermal equilibrium and, therefore,…
Temperature estimation, known as thermometry, is a critical sensing task for physical systems operating in the quantum regime. Indeed, thermal fluctuations can significantly degrade quantum coherence. Therefore, accurately determining the…
We present explicit kinetic equations for quantum transport through a general molecular quantum-dot, accounting for all contributions up to 4th order perturbation theory in the tunneling Hamiltonian and the complete molecular density…
Heat transport exhibits distinct regimes ranging from ballistic propagation to diffusive relaxation, traditionally described by disparate theoretical frameworks. Here, we introduce a unified first-order operator formulation in which…
Vibrational heat transport in molecular junctions is a central issue in different contemporary research areas like Chemistry, material science, mechanical engineering, thermoelectrics and power generation. Our model system consists of a…
We study heat exchange in temperature-biased metal-molecule-metal molecular junctions by employing the LAMMPS atomic molecular dynamics simulator. Generating the nonequilibrium steady state with Langevin thermostats at the boundaries of the…
We consider a two-level system such as a two-level atom, interacting with a cavity field mode in the rotating wave approximation, when the atomic transition frequency or the field mode frequency is periodically driven in time. We show that…
Thermal transport through nanosystems is central to numerous processes in chemistry, material sciences, electrical and mechanical engineering, with classical molecular dynamics as the key simulation tool. Here we focus on thermal junctions…
We study the quantum dynamics of a non-interacting spin ensemble under the effect of a reservoir by applying the framework of the non-Hermitian Hamiltonian operators. Theoretically, the two-level model describes the quantum spin system and…
Collision models provide a simple and versatile setting to capture the dynamics of open quantum systems. The standard approach to thermalisition in this setting involves an environment of independent and identically-prepared thermal qubits,…
We develop a general theory for thermal transport in anharmonic systems under the weak system-bath coupling approximation similar to the quantum master equation formalism. A current operator is derived, which is valid not only in the steady…
We present a detailed study of the non-linear thermoelectric properties of a molecular junction, represented by a dissipative Anderson-Holstein model. A single orbital level with strong Coulomb interaction is coupled to a localized…
The description of states and dynamics in non-Hermitian systems is fundamentally linked to the choice of an appropriate theoretical framework -- a point of ongoing debate in the field. This work addresses this issue by proposing a…
In this work we investigate the transient solidification of a Lennard-Jones liquid using non-equilibrium molecular dynamics simulations and continuum heat transfer theory. The simulations are performed in slab-shaped boxes, where a cold…
We investigate, how finite temperature influences quantum coherence in multipartite open systems by analyzing a tripartite spin boson model subjected to non-Markovian dephasing. Two distinct environmental configurations are considered viz.…
Non-unitary quantum mechanics has been used in the past to study irreversibility, dissipation and decay in a variety of physical systems. In this letter, we propose a general scheme to deal with systems governed by non-Hermitian…
The accurate simulation of real--time quantum transport is notoriously difficult, requiring a consistent scheme to treat incoming and outgoing fluxes at the boundary of an open system. We demonstrate a method to converge non--equilibrium…
Quantum theory can be formulated with certain non-Hermitian Hamiltonians. An anti-linear involution, denoted by PT, is a symmetry of such Hamiltonians. In the PT-symmetric regime the non-Hermitian Hamiltonian is related to a Hermitian one…