Related papers: Reduced Dynamical Maps in Finite Temperature Vibro…
We evaluate the density matrix of an arbitrary quantum mechanical system in terms of the quantities pertinent to the solution of the time-dependent density functional theory (TDDFT) problem. Our theory utilizes the adiabatic connection…
Because most chemical or biological experiments are performed under conditions of controlled pressure and temperature, it is important to simulate the isobaric-isothermal ensemble at the atomic level to reveal the microscopic mechanism. By…
This paper presents approximation methods for time-dependent thermal radiative transfer problems in high energy density physics. It is based on the multilevel quasidiffusion method defined by the high-order radiative transfer equation (RTE)…
We present a methodology to simulate the quantum thermodynamics of thermal machines which are built from an interacting working medium in contact with fermionic reservoirs at fixed temperature and chemical potential. Our method works at…
A universal algorithm to derive a macroscopic dynamics from the microscopic dynamical system via the averaging process and symplecto-contact reduction was introduced by Jin-wook Lim and the second-named author in [LO23]. They apply the…
We consider a thermofield approach to analyze the evolution of an open quantum system coupled to an environment at finite temperature. In this approach, the finite temperature environment is exactly mapped onto two virtual environments at…
Employing a recently developed approach to dynamically emergent quantum thermodynamics, we revisit the thermodynamic behavior of the quantum Otto cycle with a focus on memory effects and strong system-bath couplings. Our investigation is…
Thermodynamics (in concert with its sister discipline, statistical physics) can be regarded as a data reduction scheme based on partitioning a total system into a subsystem and a bath that weakly interact with each other. The ubiquity and…
We introduce an efficient method TTN-HEOM for exactly calculating the open quantum dynamics for driven quantum systems interacting with highly structured bosonic baths by combining the tree tensor network (TTN) decomposition scheme to the…
Developing efficient path integral (PI) methods for atomistic simulations of vibrational spectra in heterogeneous condensed phases and interfaces has long been a challenging task. Here, we present the h-CMD method, short for hybrid centroid…
We present a flexible density-matrix renormalization group approach to calculate finite-temperature spectral functions of one-dimensional strongly correlated quantum systems. The method combines the purification of the finite-temperature…
We investigate the quantum field aspects in flat spacetime for an uniformly accelerated observer moving in a thermal bath. In particular, we obtain an exact closed expression of the reduced density matrix for an uniformly accelerated…
The goal of this paper is to assess the utility of Reduced-Order Models (ROMs) developed from 3D physics-based models for predicting transient thermal power output for an enhanced geothermal reservoir while explicitly accounting for…
An extended first-principles molecular dynamics (FPMD) method based on Kohn-Sham scheme is proposed to elevate the temperature limit of the FPMD method in the calculation of dense plasmas. The extended method treats the wave functions of…
Understanding mechanisms for energy dissipation from nanoparticles in contact with large samples is a central problem in describing friction microscopically. Calculation of the reduced density matrix appears to be the most suitable metho to…
A general procedure is established to calculate the quantum phase diagrams for finite matter-field Hamiltonian models. The minimum energy surface associated to the different symmetries of the model is calculated as a function of the…
Recently, Dammak and coworkers (H. Dammak, Y. Chalopin, M. Laroche, M. Hayoun, and J.J. Greffet. Quantumthermal bath for molecular dynamics simulation. Phys. Rev. Lett., 103:190601, 2009.) proposed that the quantum statistics of vibrations…
The reduced-density-matrix method is an promising candidate for the next generation electronic structure calculation method; it is equivalent to solve the Schr\"odinger equation for the ground state. The number of variables is the same as a…
We study thermalization in a one-dimensional quantum system consisting of a noninteracting fermionic chain with each site of the chain coupled to an additional bath site. Using a density matrix renormalization group algorithm we investigate…
The finite element method is widely used in simulations of various fields. However, when considering domains whose extent differs strongly in different spatial directions a finite element simulation becomes computationally very expensive…