相关论文: Reduced Dynamical Maps in Finite Temperature Vibro…

In this work, we derive a multi-fragment real-time extension of projected density matrix embedding theory (pDMET) designed to treat non-equilibrium electron dynamics in strongly correlated systems. As in the previously developed static…

Tensor networks serve as a powerful tool for efficiently representing and manipulating high-dimensional data in applications such as quantum physics, machine learning, and data compression. Tensor Decision Diagrams (TDDs) offer an efficient…

We introduce a framework for designing efficient diffusion models for $d$-dimensional symmetric-space Riemannian manifolds, including the torus, sphere, special orthogonal group and unitary group. Existing manifold diffusion models often…

The fabrication, utilisation, and efficiency of quantum technologies rely on a good understanding of quantum thermodynamic properties. Many-body systems are often used as hardware for these quantum devices, but interactions between…

We present the Reduced Operator Approximation: a simple, physically transparent and computationally efficient method of modelling open quantum systems. It employs the Heisenberg picture of the quantum dynamics, which allows us to focus on…

Modeling open quantum systems -- quantum systems coupled to a bath -- is of value in condensed matter theory, cavity quantum electrodynamics, nanosciences and biophysics. The real-time simulation of open quantum systems was advanced…

We have developed a computer code for the thermodynamic hierarchical equations of motion derived from a spin subsystem coupled to multiple Drude baths at different temperatures, which are connected to or disconnected from the subsystem as a…

We use local diffusion maps to assess the quality of two types of collective variables (CVs) for a recently published hydrogen combustion benchmark dataset~\cite{guan2022benchmark} that contains ab initio molecular dynamics trajectories and…

We introduce the optimized dynamic mode decomposition algorithm for constructing an adaptive and computationally efficient reduced order model and forecasting tool for global atmospheric chemistry dynamics. By exploiting a low-dimensional…

We introduce `PI-Entropy' $\Pi(\tilde{\rho})$ (the Permutation entropy of an Indexed ensemble) to quantify mixing due to complex dynamics for an ensemble $\rho$ of different initial states evolving under identical dynamics. We find that…

We construct and solve a "minimal model" with which nonequilibrium phenomena in many-body open quantum systems can be studied analytically under time-dependent parameter changes in the system and/or the bath. Coupling a suitable…

This work is a pedagogical survey about the hierarchical equations of motion and their implementation with the tensor-train format. These equations are a great standard in non-perturbative non-Markovian open quantum systems. They are exact…

In this work, a numerical simulation of 1D Burgers' equation is developed using finite difference method and a reduced order model (ROM) of the simulation is developed using proper orthogonal decomposition (POD). The objective of this work…

Dirac-Frenkel variational method with Davydov D2 trial wavefunction is extended by introducing a thermalization algorithm and applied to simulate dynamics of a general open quantum system. The algorithm allows to control temperature…

Besides their huge technological importance, fluidized beds have attracted a large amount of research because they are perfect playgrounds to investigate highly dynamic particulate flows. Their over-all behavior is determined by…

Phase transitions are ubiquitous across life, yet hard to quantify and describe accurately. In this work, we develop an approach for characterizing generic attributes of phase transitions from very limited observations made deep within…

We propose a method to simulate the real time evolution of one dimensional quantum many-body systems at finite temperature by expressing both the density matrices and the observables as matrix product states. This allows the calculation of…

A coupled hygro-thermo-mechanical computational model is proposed for fibre reinforced polymers, formulated within the framework of Computational Homogenisation (CH). At each macrostructure Gauss point, constitutive matrices for thermal,…

A new group of reduced-order models (ROMs) for nonlinear thermal radiative transfer (TRT) problems is presented. They are formulated by means of the nonlinear projective approach and data compression techniques. The nonlinear projection is…

Using the tools of random matrix theory we develop a statistical analysis of the transport properties of thermoelectric low-dimensional systems made of two electron reservoirs set at different temperatures and chemical potentials, and…