Related papers: Preservation of Positivity by Dynamical Coarse-Gra…
We propose a method which combines the quantum-classical mapping approach to surface hopping (MASH) with the dissipative quantum dynamics of the Lindblad master equation. Like conventional surface-hopping methods, our approach is based on…
Coarse-graining or model reduction is a term describing a range of approaches used to extend the time-scale of molecular simulations by reducing the number of degrees of freedom. In the context of molecular simulation, standard…
We investigate the dynamic evolution and thermodynamic process of a driven quantum system immersed in a finite-temperature heat bath. A Born-Markovian quantum master equation is formally derived for the time-dependent system with discrete…
We present a derivation of the Lindblad equation - an important tool for the treatment of non-unitary evolutions - that is accessible to undergraduate students in physics or mathematics with a basic background on quantum mechanics. We…
Dissipation and decoherence, and the evolution from pure to mixed states in quantum physics are handled through master equations for the density matrix. Master equations such as the Lindblad equation preserve the trace of this matrix.…
Simulations of condensed matter systems often focus on the dynamics of a few distinguished components but require integrating the dynamics of the full system. A prime example is a molecular dynamics simulation of a (macro)molecule in…
Coarse-graining techniques play a central role in reducing the complexity of stochastic models, and are typically characterised by a mapping which projects the full state of the system onto a smaller set of variables which captures the…
The evolution of a continuous time Markov process with a finite number of states is usually calculated by the Master equation - a linear differential equations with a singular generator matrix. We derive a general method for reducing the…
Previous years researchers began to simulate open quantum system, taking into account the interaction between system and the environment. One approach to deal with this problem is to use the density matrix within the Liouville-von-Neumann…
Several approximation procedures, such as the full or partial rotating-wave, time-averaging, and geometric-arithmetic approximations, have been proposed to derive Gorini-Kossakowski-Sudarshan-Lindblad (GKSL) generators from the Born-Markov…
A direct numerical algorithm for solving the time-nonlocal non-Markovian master equation in the second Born approximation is introduced and the range of utility of this approximation, and of the Markov approximation, is analyzed for the…
In this paper we derive an extra class of non-Markovian master equations where the system state is written as a sum of auxiliary matrixes whose evolution involve Lindblad contributions with local coupling between all of them, resembling the…
A general theoretical approach to study the quantum kinetics in a system coupled to a bath is proposed. Starting with the microscopic interaction, a Lindblad master equation is established, which goes beyond the common secular…
We generalize the adiabatic approximation to the case of open quantum systems, in the joint limit of slow change and weak open system disturbances. We show that the approximation is ``physically reasonable'' as under wide conditions it…
Constrained quantum dynamics is used to propose a nonlinear dynamical equation for pure states of a generalized coarse-grained system. The relevant constraint is given either by the generalized purity or by the generalized invariant…
Quantum simulation has begun to penetrate the field of quantum chemistry in hopes of efficiently calculating ground state energies and approximating real-time evolution. With modern research highlighting nonadiabatic dynamics, tunably…
The Lindblad master equation is a fundamental tool for describing the evolution of open quantum systems, but its computational complexity poses a significant challenge, especially for large systems. This article introduces a stochastic…
Reservoir engineering has proven to be a practical approach to control open quantum systems, preserving quantum coherence by appropriately manipulating the reservoir and system-reservoir interactions. In this context, for systems comprised…
A novel scheme to simulate the evolution of a restricted set of observables of a quantum system is proposed. The set comprises the spectrum-generating algebra of the Hamiltonian. The idea is to consider a certain open-system evolution,…
We present a real-space formulation for coarse-graining Kohn-Sham Density Functional Theory that significantly speeds up the analysis of material defects without appreciable loss of accuracy. The approximation scheme consists of two steps.…