Related papers: The Finite Difference Time Domain Method for Compu…
We present a unified formulation for quantum statistical physics based on the representation of the density matrix as a functional integral. We identify the stochastic variable of the effective statistical theory that we derive as a…
We study the structure of the time evolution of the density matrix in contact with a thermal bath in a standard projection operator sheme. The reduced density matrix of the system in the steady state is obtained by tracing out the degree of…
An extremely fast time-harmonic finite element solver developed for the transmission analysis of photonic crystals was applied to mask simulation problems. The applicability was proven by examining a set of typical problems and by a…
We present a finite element scheme for fractional diffusion problems with varying diffusivity and fractional order. We consider a symmetric integral form of these nonlocal equations defined on general geometries and in arbitrary bounded…
Recent developments in the numerical renormalization group (NRG) allow the construction of the full density matrix (FDM) of quantum impurity models (see A. Weichselbaum and J. von Delft) by using the completeness of the eliminated states…
We present a finite-difference method for the topology optimization of permanent magnets that is based on the FFT accelerated computation of the stray-field. The presented method employs the density approach for topology optimization and…
In this work we apply the Lie group representation method introduced in the real time formalism for finite-temperature quantum-field theory, thermofield dynamics, to derive a spinorial density matrix equation. Symmetry properties of such…
We present a new algorithm to calculate the thermodynamic quantities of three-dimensional (3D) classical statistical systems, based on the ideas of the tensor product state and the density matrix renormalization group. We represent the…
We present a Wave Operator Minimization (WOM) method for calculating the Fermi-Dirac density matrix for electronic structure problems at finite temperature while preserving physicality by construction using the wave operator, i.e., the…
We present a real-space formulation and higher-order finite-difference implementation of periodic Orbital-free Density Functional Theory (OF-DFT). Specifically, utilizing a local reformulation of the electrostatic and kernel terms, we…
In this paper we study the thermal effective behaviour for 3D multiphase composite material consisting of three isotropic phases which are the matrix, the inclusions and the coating media. For this purpose we use an accelerated FFT-based…
We propose two complimentary numerical methods for rigorous computation of dynamic structure factor at zero temperature. One solution is to solve Schrodinger equation using time dependent variational principle (TDVP) with matrix product…
We introduce a method to carry out zero-temperature calculations within density functional theory (DFT) but without relying on the Born-Oppenheimer (BO) approximation for the ionic motion. Our approach is based on the finite-temperature…
Thermoreflectance techniques, including time-domain thermoreflectance (TDTR), frequency-domain thermoreflectance (FDTR), and the square-pulsed source (SPS) method, are powerful tools for characterizing the thermal properties of bulk and…
The density matrix renormalization group (DMRG) method and its applications to finite temperatures and two-dimensional systems are reviewed. The basic idea of the original DMRG method, which allows precise study of the ground state…
We describe a Hartree ensemble method to approximately solve the Heisenberg equations for the \phi^4 model in 1+1 dimensions. We compute the energies and number densities of the quantum particles described by the \phi field and find that…
We present a time-domain iteration scheme for solving the Dynamical Mean-Field Theory (DMFT) self-consistent equations using retarded Green's functions in real time. Unlike conventional DMFT approaches that operate in imaginary time or…
Landauer's principle gives a fundamental limit to the thermodynamic cost of erasing information. Its saturation requires a reversible isothermal process, and hence infinite time. We develop a finite-time version of Landauer's principle for…
In this article, an efficient transient electricalthermal co-simulation method based on the finite element method (FEM) and the discontinuous Galerkin time-domain (DGTD) method is developed for electrical-thermal coupling analysis of…
In the framework of quantum thermodynamics, we propose a method to quantitatively describe thermodynamic quantities for out-of-equilibrium interacting many-body systems. The method is articulated in various approximation protocols which…