Related papers: First-principles open quantum dynamics for solids …
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…
The computational treatment of many-electron systems capable of exchanging {electrons and nuclei} with the environment represents one of the outermost frontiers in simulation methodology. The exchanging process occurs in a large variety of…
We investigate the preparation of a target initial state for a two-level (qubit) system from a system-environment equilibrium or correlated state by an external field. The system-environment equilibrium or correlated state results from the…
This chapter provides a tutorial overview of first principles methods to describe the properties of matter at the ground state or equilibrium. It begins with a brief introduction to quantum and statistical mechanics for predicting the…
We consider generic interacting chain of qubits, which are coupled at the edges to baths of fixed polarizations. We can determine the nonequilibrium steady states, described by the fixed point of the Lindblad Master Equation. Under rather…
The study of open quantum systems is important for fundamental issues of quantum physics as well as for technological applications such as quantum information processing. The interaction of a quantum system with it's environment is usually…
The ionization dynamics of a hydrogen molecule, serving as a fundamental benchmark in quantum chemistry, is investigated within a comprehensive framework combining quantum electrodynamics and the Lindblad master equation. This approach…
The emerging field of strongly coupled light-matter systems has drawn significant attention in recent years due to the prospect of altering physical and chemical properties of molecules and materials. Because this emerging field draws on…
Often quantum systems are not isolated and interactions with their environments must be taken into account. In such open quantum systems these environmental interactions can lead to decoherence and dissipation, which have a marked influence…
To leverage the redundancy between the electronic structure computed at each step of first-principles molecular dynamics, we present a data-driven modeling framework for Kohn-Sham Density Functional Theory that bypasses the explicit…
An approach to correlated dynamics of quantum nuclei and electrons both in dynamical interaction with external environments is presented. This stochastic quantum molecular dynamics rests on a theorem that establishes a one-to-one…
In order to achieve practical implementations of emerging quantum technologies, it is important to have a firm understanding of the dynamics of realistic quantum open systems. Master equations provide a widely used tool in this regard. In…
The usual paradigm of open quantum systems falls short when the environment is actually coupled to additional fields or components that drive it out of equilibrium. Here we explore the simplest such scenario, by considering a two level…
We investigate the effects of dissipation on the quantum dynamics of many-body systems at quantum transitions, especially considering those of the first order. This issue is studied within the paradigmatic one-dimensional quantum Ising…
We develop a general theory describing the thermodynamical behavior of open quantum systems coupled to thermal baths beyond perturbation theory. Our approach is based on the exact time-local quantum master equation for the reduced open…
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…
The quantum mechanics formalism introduced new revolutionary concepts challenging our everyday perceptions. Arguably, quantum entanglement, which explains correlations that cannot be reproduced classically, is the most notable of them.…
We prove the existence of the exact density-functional theory formalism for open electronic systems, and develop subsequently an exact time-dependent density-functional theory (TDDFT) formulation for the dynamic response. The TDDFT…
Nanoscale devices - either biological or artificial - operate in a regime where the usual assumptions of a structureless, Markovian, bath do not hold. Being able to predict and study the dynamics of such systems is crucial and is usually…
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…