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In this paper, we propose a new Green's function embedding method called PEXSI-$\Sigma$ for describing complex systems within the Kohn-Sham density functional theory (KSDFT) framework, after revisiting the physics literature of Green's…

Computational Physics · Physics 2016-10-20 Xiantao Li , Lin Lin , Jianfeng Lu

Graph Neural Networks (GNNs) have demonstrated effectiveness in collaborative filtering tasks due to their ability to extract powerful structural features. However, combining the graph features extracted from user-item interactions and…

Information Retrieval · Computer Science 2024-08-13 Jiafeng Xia , Dongsheng Li , Hansu Gu , Tun Lu , Ning Gu

Graphene has proven to host outstanding mesoscopic effects involving massless Dirac quasiparticles travelling ballistically resulting in the current flow exhibiting light-like behaviour. A new branch of 2D electronics inspired by the…

Mesoscale and Nanoscale Physics · Physics 2018-08-22 Gaetano Calogero , Nick R. Papior , Peter Bøggild , Mads Brandbyge

Numerical modeling of wave propagation in heterogeneous media is important in many applications. Due to the complex nature, direct numerical simulations on the fine grid are prohibitively expensive. It is therefore important to develop…

Numerical Analysis · Mathematics 2016-11-26 Eric T. Chung , Yalchin Efendiev , Wing Tat Leung

Single-file diffusion refers to the motion in narrow channels of particles which cannot bypass each other. These strong correlations between particles lead to tracer subdiffusion, which has been observed in contexts as varied as transport…

Statistical Mechanics · Physics 2021-12-08 Alexis Poncet , Aurélien Grabsch , Pierre Illien , Olivier Bénichou

We propose a new model to approximate the wave response of waveguides containing an arbitrary number of small inclusions. The theory is developed to consider any one-dimensional waveguide (longitudinal, flexural, shear, torsional waves or a…

Computational Physics · Physics 2024-05-07 Mario Lázaro , Richard Wiltshaw , Richard Vaughan Craster , Luis M. García-Raffi

In the graph-based semi-supervised learning, the Green-function method is a classical method that works by computing the Green's function in the graph space. However, when applied to large graphs, especially those sparse ones, this method…

Machine Learning · Computer Science 2024-11-05 Feiping Nie , Yitao Song , Wei Chang , Rong Wang , Xuelong Li

In this paper I discuss a formulation of relativistic few-particle scattering theory where the dynamical input is a collection of reflection-positive Euclidean covariant Green functions. This formulation of relativistic quantum mechanics…

Mathematical Physics · Physics 2015-06-18 W. N. Polyzou

We present a new boundary integral formulation for time-harmonic wave diffraction from two-dimensional structures with many layers of arbitrary periodic shape, such as multilayer dielectric gratings in TM polarization. Our scheme is robust…

Numerical Analysis · Mathematics 2015-06-23 Min Hyung Cho , Alex H. Barnett

An efficient and compact approach to the inclusion of dissipative effects in Non-Equilibrium Green's Function (NEGF) simulations of electronic systems is introduced. The algorithm is based on two well known methods in the literature,…

Mesoscale and Nanoscale Physics · Physics 2018-03-07 Jesse A. Vaitkus , Jared H. Cole

General first order methods (GFOMs), including various gradient descent and AMP algorithms, constitute a broad class of iterative algorithms in modern statistical learning problems. Some GFOMs also serve as constructive proof devices,…

Statistics Theory · Mathematics 2025-05-30 Qiyang Han

Layered media have been studied extensively both for their importance in imaging technologies and as an example of a hyperbolic PDE with discontinuous coefficients. From the perspective of acoustic imaging, the time limited impulse response…

Analysis of PDEs · Mathematics 2014-12-22 Peter C. Gibson

In this paper, we establish new results for the uniform far-field asymptotics of the two-layered Green function (together with its derivatives) in 2D in the frequency domain. To the best of our knowledge, our results are the sharpest yet…

Analysis of PDEs · Mathematics 2023-12-27 Long Li , Jiansheng Yang , Bo Zhang , Haiwen Zhang

Near-field radiative heat transfer (NFRHT) between irregularly shaped dielectric particles made of SiO2 and morphology characterized by Gaussian random spheres is studied. Particles are modeled using the discrete system Green's function…

Applied Physics · Physics 2023-01-16 Lindsay P. Walter , Eric J. Tervo , Mathieu Francoeur

An efficient surface integral equation-based method is proposed for the analysis of electromagnetic scattering from multilayered media containing complex periodic inclusions. The proposed method defines equivalent currents at the interfaces…

Optics · Physics 2014-08-19 Nilufer A. Ozdemir , Christophe Craeye

A new density matrix and corresponding quantum kinetic equations are introduced for fermions undergoing coherent evolution either in time (coherent particle production) or in space (quantum reflection). A central element in our derivation…

High Energy Physics - Phenomenology · Physics 2009-02-02 Matti Herranen , Kimmo Kainulainen , Pyry Matti Rahkila

In this paper, we develop a multiscale finite element method for solving flows in fractured media. Our approach is based on Generalized Multiscale Finite Element Method (GMsFEM), where we represent the fracture effects on a coarse grid via…

Numerical Analysis · Mathematics 2015-02-16 Yalchin Efendiev , Seong Lee , Guanglian Li , Jun Yao , Na Zhang

The exact reduced density-matrix functional is derived from the Luttinger-Ward functional of the single-particle Green's function. Thereby, a formal link is provided between diagrammatic many-body approaches using Green's functions on the…

Strongly Correlated Electrons · Physics 2013-12-11 Peter E. Blöchl , Thomas Pruschke , Michael Potthoff

Factorization machine (FM) is a prevalent approach to modeling pairwise (second-order) feature interactions when dealing with high-dimensional sparse data. However, on the one hand, FM fails to capture higher-order feature interactions…

Machine Learning · Computer Science 2025-02-24 Shu Wu , Zekun Li , Yunyue Su , Zeyu Cui , Xiaoyu Zhang , Liang Wang

The objective of this paper is to describe a simple phenomenological approach for including incoherent dephasing processes in quantum transport models. The presented illustrative numerical results show this model provides the flexibility of…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Roksana Golizadeh-Mojarad , Supriyo Datta