Related papers: Generalized master equation for modular exciton de…
Obtaining the exciton dynamics of large photosynthetic complexes by using mixed quantum mechanics/molecular mechanics (QM/MM) is computationally demanding. We propose a machine learning technique, multi-layer perceptrons, as a tool to…
Using non-relativistic many body quantum field theory, a master equation is derived for the reduced density matrix of a dilute gas of massive particles undergoing scattering interactions with an environment of light particles. The dynamical…
The dynamics of open quantum systems is formulated in a minimally extended state space comprising the degrees of freedom of a system of interest and a finite set of non-unitary, pure-state reservoir modes. This formal structure, derived…
Conditional density estimation is complicated by multimodality, heteroscedasticity, and strong non-Gaussianity. Gaussian processes (GPs) provide a principled nonparametric framework with calibrated uncertainty, but standard GP regression is…
The Feynman-Vernon path integral formalism is used to derive the density matrix of a quantum oscillator that is linearly coupled to an environmental reservoir. Although low-temperature reservoirs thermalize the oscillator to the usual…
The Markov entropy decomposition (MED) is a recently-proposed, cluster-based simulation method for finite temperature quantum systems with arbitrary geometry. In this paper, we detail numerical algorithms for performing the required steps…
The generalized Gibbs ensemble (GGE), which involves multiple conserved quantities other than the Hamiltonian, has served as the statistical-mechanical description of the long-time behavior for several isolated integrable quantum systems.…
We reconsider the non-equilibrium dynamics of closed quantum systems. In particular we focus on the thermalization of integrable systems. Here we show how the generalized Gibbs Ensemble (GGE) can be constructed as the best approximation to…
Mobility edge (ME), representing the critical energy that distinguishes between extended and localized states, is a key concept in understanding the transition between extended (metallic) and localized (insulating) states in disordered and…
To investigate the effect of quantum coherence on electronic energy transfer, which is the subject of current interest in photosynthesis, we solve the problem of transport for the simplest model of an aggregate of monomers interacting…
We develop a master equation formalism to describe the evolution of the average density matrix of a closed quantum system driven by a stochastic Hamiltonian. The average over random processes generally results in decoherence effects in…
The chemical master equation (CME), which describes the discrete and stochastic molecule number dynamics associated with biological processes like transcription, is difficult to solve analytically. It is particularly hard to solve for…
The study of electronic transitions within a molecule connected to the absorption or emission of light is a common task in the process of the design of new materials. The transitions are complex quantum mechanical processes and a detailed…
Central to many discussion of decoherence is a master equation for the reduced density matrix of a massive particle experiencing scattering from its surrounding environment, such as that of Joos and Zeh. Such master equations enjoy a close…
The Gaussian Orthogonal Ensemble (GOE) of random matrices has been widely employed to describe diverse phenomena in strongly coupled quantum systems. An important prediction is that the decay rates of the GOE eigenstates fluctuate according…
We present an embedding scheme for periodic systems that facilitates the treatment of the physically important part (here the unit cell) with advanced electronic-structure methods, that are computationally too expensive for periodic…
We provide a general construction of quantum generalized master equations with memory kernel leading to well defined, that is completely positive and trace preserving, time evolutions. The approach builds on an operator generalization of…
Elucidating quantum coherence effects and geometrical factors for efficient energy transfer in photosynthesis has the potential to uncover non-classical design principles for advanced organic materials. We study energy transfer in a linear…
We illustrate the equivalence between the non-unitary evolution of an open quantum system governed by a Markovian master equation and a process of continuous measurements involving this system. We investigate a system of two coupled modes,…
We present a master equation describing the interaction of light with dielectric objects of arbitrary sizes and shapes. The quantum motion of the object, the quantum nature of light, as well as scattering processes to all orders in…