Related papers: H-NESSi: The Hierarchical Non-Equilibrium Systems …
Two-dimensional (2D) materials exhibit a wide range of electronic properties that make them promising candidates for next-generation nanoelectronic devices. Accurate prediction of their quantum transport behavior is therefore of both…
Different molecular dynamics methods like the direct method, the Green-Kubo (GK) method and homogeneous non-equilibrium molecular dynamics (HNEMD) method have been widely used to calculate lattice thermal conductivity ($\kappa_\ell$). While…
In this work a two-particle irreducible (2PI) closed-time-path (CTP) effective action is used to describe the nonequilibrium dynamics of a Bose Einstein condensate (BEC) selectively loaded into every third site of a one-dimensional optical…
In this paper, a class of high order numerical schemes is proposed for solving Hamilton-Jacobi (H-J) equations. This work is regarded as an extension of our previous work for nonlinear degenerate parabolic equations, see Christlieb et al.…
We present fourth-order conservative non-splitting semi-Lagrangian (SL) Hermite essentially non-oscillatory (HWENO) schemes for linear transport equations with applications for nonlinear problems including the Vlasov-Poisson system, the…
We present the implementation of spinor quantum transport within the non-equilibrium Green's function (NEGF) code TranSIESTA based on Density Functional Theory (DFT). First-principles methods play an essential role in molecular and material…
In this work we investigate a binned version of Quantum Phase Estimation (QPE) set out by [Somma 2019] and known as the Quantum Eigenvalue Estimation Problem (QEEP). Specifically, we determine whether the circuit decomposition techniques we…
The theory of open quantum systems addresses how coupling to external degrees of freedom modifies observables and quantum coherence, a situation central to fundamental condensed-matter research and emerging quantum technologies.…
Different relaxation approximations to partial differential equations, including conservation laws, Hamilton-Jacobi equations, convection-diffusion problems, gas dynamics problems, have been recently proposed. The present paper focuses onto…
The quantum statistics mechanism is very powerful for investigating the equilibrium states and the phase transitions in complex spin disorder systems. The spin disorder systems act as an interdisciplinary platform for solving the optimum…
In this paper we establish a connection between non-convex optimization methods for training deep neural networks and nonlinear partial differential equations (PDEs). Relaxation techniques arising in statistical physics which have already…
This study investigates the complex kinetics of thermodynamic nonequilibrium effects (TNEs) and their relative importance during the development of Kelvin-Helmholtz instability (KHI) using high-order discrete Boltzmann models (DBMs). First,…
Considering von Neumann expression for reduced density matrix as thermodynamic entropy of a system strongly coupled to baths, we use nonequilibrium Green's function (NEGF) techniques to derive bath and energy resolved expressions for…
Open quantum systems that feature non-Markovian dynamics are routinely solved using techniques such as the Hierarchical Equations of Motion (HEOM). However, their usage of the entire system density-matrix renders them intractable for…
Despite the widespread utilization of Gaussian process models for versatile nonparametric modeling, they exhibit limitations in effectively capturing abrupt changes in function smoothness and accommodating relationships with heteroscedastic…
The ultrafast hole dynamics triggered by the photoexcitation of molecular targets is a highly correlated process even for those systems, like organic molecules, having a weakly correlated ground state. We here provide a unifying framework…
Non-local low-rank tensor approximation has been developed as a state-of-the-art method for hyperspectral image (HSI) restoration, which includes the tasks of denoising, compressed HSI reconstruction and inpainting. Unfortunately, while its…
A new horizontally explicit/vertically implicit (HEVI) time splitting scheme for atmospheric modelling is introduced, for which the horizontal divergence terms are applied within the implicit vertical substep. The new HEVI scheme is…
Finding solutions to systems of linear equations is a common prob\-lem in many areas of science and engineering, with much potential for a speedup on quantum devices. While the Harrow-Hassidim-Lloyd (HHL) quantum algorithm yields up to an…
Sparse eigenproblems are important for various applications in computer graphics. The spectrum and eigenfunctions of the Laplace--Beltrami operator, for example, are fundamental for methods in shape analysis and mesh processing. The…