Related papers: Open quantum-classical systems: A hybrid MASH mast…
We present a nonadiabatic classical-trajectory approach that offers the best of both worlds between fewest-switches surface hopping (FSSH) and quasiclassical mapping dynamics. This mapping approach to surface hopping (MASH) propagates the…
We develop a Markovian master equation in the Lindblad form that enables the efficient study of a wide range of open quantum many-body systems that would be inaccessible with existing methods. The validity of the master equation is based…
We introduce a variational hybrid classical-quantum algorithm to simulate the Lindblad master equation and its adjoint for time-evolving Markovian open quantum systems and quantum observables. Our method is based on a direct representation…
The Monte Carlo wave function method or the quantum trajectory/jump approach is a powerful tool to study dissipative dynamics governed by the Markovian master equation, in particular for high-dimensional systems and when it is difficult to…
Quantum trajectory techniques have been used in the theory of open systems as a starting point for numerical computations and to describe the monitoring of a quantum system in continuous time. Here we extend this technique and use it to…
Quantum computing offers promising new avenues for tackling the long-standing challenge of simulating the quantum dynamics of complex chemical systems, particularly open quantum systems coupled to external baths. However, simulating such…
Modeling the non-equilibrium dissipative dynamics of strongly interacting quantized degrees of freedom is a fundamental problem in several branches of physics and chemistry. We implement a quantum state trajectory scheme for solving…
Nonadiabatic dynamics methods are an essential tool for investigating photochemical processes. In the context of employing first principles electronic structure techniques, such simulations can be carried out in a practical manner using…
This is a concise, pedagogical introduction to the dynamic field of open quantum systems governed by Markovian master equations. We focus on the mathematical and physical origins of the widely used Lindblad equation, its unraveling in terms…
We develop a multi-state generalisation of the recently proposed mapping approach to surface hopping (MASH) for the simulation of electronically nonadiabatic dynamics. This new approach extends the original MASH method to be able to treat…
The Markovian dynamics of open quantum systems is typically described through Lindblad equations, which are derived from the Redfield equation via the full secular approximation. The latter neglects the rotating terms in the master equation…
The design of electrically driven quantum dot devices for quantum optical applications asks for modeling approaches combining classical device physics with quantum mechanics. We connect the well-established fields of semi-classical…
We discuss mapping the Bloch-Redfield master-equation to Lindblad form and then unravelling the resulting evolution into a stochastic Schr\"odinger equation according to the quantum-jump method. We give two approximations under which this…
The Lindblad quantum master equation is one of the central approaches to the physics of open quantum systems. In particular, boundary driving enables the study of transport, where a steady state emerges in the long-time limit, which…
Master equations in the Lindblad form describe evolution of open quantum systems that is completely positive and simultaneously has a semigroup property. We analyze a possibility to derive this type of master equations from an intrinsically…
Quantum master equations are an invaluable tool to model the dynamics of a plethora of microscopic systems, ranging from quantum optics and quantum information processing, to energy and charge transport, electronic and nuclear spin…
For the efficient simulation of open quantum systems we often use quantum jump trajectories given by pure states that evolve stochastically to unravel the dynamics of the underlying master equation. In the Markovian regime, when the…
For multi-level open quantum system, the interaction between different levels could pose challenge to understand the quantum system both analytically and numerically. In this work, we study the approximation of the dynamics of the…
We describe how to simulate charge diffusion in organic semiconductors using a recently introduced mixed quantum-classical method, the mapping approach to surface hopping (MASH). In contrast to standard fewest-switches surface hopping, this…
Many-body quantum systems present a rich phenomenology which can be significantly altered when they are in contact with an environment. In order to study such setups, a number of approximations are usually performed, either concerning the…