Related papers: Approximate but Accurate Quantum Dynamics from the…
The ability to efficiently and accurately calculate equilibrium time correlation functions of many-body condensed phase quantum systems is one of the outstanding problems in theoretical chemistry. The Nakajima-Zwanzig-Mori formalism coupled…
Memory effects play a key role in the dynamics of strongly correlated systems driven out of equilibrium. In the present study, we explore the nature of memory in the nonequilibrium Anderson impurity model. The Nakajima--Zwanzig--Mori…
Reduced Order Models (ROMs) of complex, nonlinear dynamical systems often require closure, which is the process of representing the contribution of the unresolved physics on the resolved physics. The Mori-Zwanzig (M-Z) procedure allows one…
Developing reduced-order models for turbulent flows, which contain dynamics over a wide range of scales, is an extremely challenging problem. In statistical mechanics, the Mori-Zwanzig (MZ) formalism provides a mathematically formal…
Built upon the hypoelliptic analysis of the effective Mori-Zwanzig (EMZ) equation for observables of stochastic dynamical systems, we show that the obtained semigroup estimates for the EMZ equation can be used to drive prior estimates of…
We present a new approach to calculate real-time quantum dynamics in complex systems. The formalism is based on the partitioning of a system's environment into "core" and "reservoir" modes, with the former to be treated quantum mechanically…
We present a projection-based, stability-preserving methodology for computing time correlation functions in open quantum systems governed by generalized quantum master equations with non-Markovian effects. Building upon the memory kernel…
We develop rigorous estimates and provably convergent approximations for the memory integral in the Mori-Zwanzig (MZ) formulation. The new theory is built upon rigorous mathematical foundations and is presented for both state-space and…
We extend the Nakajima-Zwanzig projection operator technique to the determination of multitime correlation functions of open quantum systems. The correlation functions are expressed in terms of certain multitime homogeneous and…
Studies of the dynamics of a quantum system coupled to baths are typically performed by utilizing the Nakajima-Zwanzig memory kernel (${\mathcal{K}}$) or the influence functions ($\mathbf{{I}}$), especially when the dynamics exhibit memory…
A theoretical framework which unifies the conventional Mori-Zwanzig formalism and the approximate Koopman learning is presented. In this framework, the Mori-Zwanzig formalism, developed in statistical mechanics to tackle the hard problem of…
The Mori-Zwanzig projection operator formalism is one of the central tools of nonequilibrium statistical mechanics, allowing to derive macroscopic equations of motion from the microscopic dynamics through a systematic coarse-graining…
Energy transport equations are derived directly from full molecular dynamics models as coarse-grained description. With the local energy chosen as the coarse-grained variables, we apply the Mori-Zwanzig formalism to derive a reduced model,…
Model reduction methods aim to describe complex dynamic phenomena using only relevant dynamical variables, decreasing computational cost, and potentially highlighting key dynamical mechanisms. In the absence of special dynamical features…
We discuss some mathematical aspects of the Mori-Zwanzig projection operator formalism. The core of the Mori-Zwanzig formalism is the generalised Langevin equation, which is typically derived from the Dyson-Duhamel identity. We derive the…
We relate the memory kernel in the Nakajima-Zwanzig-Mori time-convolution approach to the reduced system propagator which is often used to obtain the kernel in the Tokuyama-Mori time-convolutionless approach. The connection provides a…
The spin-boson model is a simplified Hamiltonian often used to study non-adiabatic dynamics in large condensed phase systems, even though it has not been solved in a fully analytic fashion. Herein, we present an exact analytic expression…
In this work, we apply, for the first time to spatially inhomogeneous flows, a recently developed data-driven learning algorithm of Mori-Zwanzig (MZ) operators, which is based on a generalized Koopman's description of dynamical systems. The…
The transfer tensor method (TTM) [Cerrillo and Cao, Phys. Rev. Lett. 2014, 112, 110401] can be considered a discrete-time formulation of the Nakajima-Zwanzig quantum master equation (NZ-QME) for modeling non-Markovian quantum dynamics. A…
We develop a data-driven framework for identifying non-Markovian dynamical equations of motion for open quantum systems. Starting from the Nakajima--Zwanzig formalism, we vectorize the reduced density matrix into a four-dimensional state…