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We present an accurate and efficient real-space Density Functional Theory (DFT) framework for the ab-initio study of non-orthogonal crystal systems. Specifically, employing a local reformulation of the electrostatics, we develop a novel…

Computational Physics · Physics 2018-05-09 Abhiraj Sharma , Phanish Suryanarayana

Determinantal Point Processes (DPPs) are probabilistic models over all subsets a ground set of $N$ items. They have recently gained prominence in several applications that rely on "diverse" subsets. However, their applicability to large…

Machine Learning · Computer Science 2016-05-27 Zelda Mariet , Suvrit Sra

Accurate beam alignment is a critical challenge in XL-MIMO systems, especially in the near-field regime, where conventional far-field assumptions no longer hold. Although 2D grid-based codebooks in the polar domain are widely accepted for…

Signal Processing · Electrical Eng. & Systems 2025-02-27 Hongjun Heo , Wan Choi

The fast Fourier transform (FFT) is one of the most successful numerical algorithms of the 20th century and has found numerous applications in many branches of computational science and engineering. The FFT algorithm can be derived from a…

Numerical Analysis · Mathematics 2021-02-10 Daan Camps , Roel Van Beeumen , Chao Yang

We present an efficient real space formalism for hybrid exchange-correlation functionals in generalized Kohn-Sham density functional theory (DFT). In particular, we develop an efficient representation for any function of the real space…

Computational Physics · Physics 2024-06-26 Xin Jing , Phanish Suryanarayana

The low complexity quantization of channel state information (CSI) and the utilization of vertical freedom of three dimension (3D) channels are two critical issues in the limited feedback design of the \emph{full dimension…

Information Theory · Computer Science 2016-05-04 Lisi Jiang , Juling Zeng

Particle Mesh Ewald (PME) methods accelerated through Fast Fourier Transforms (FFTs) for their reciprocal part are widely used to solve N -body problems over periodic structures with Laplace-like kernels. The FFT dependence of classical PME…

Numerical Analysis · Mathematics 2026-01-28 Igor Chollet

Spatial mode (de)multiplexing of orbital angular momentum (OAM) beams is a promising solution to address future bandwidth issues, but the rapidly increasing divergence with the mode order severely limits the practically addressable number…

Optics · Physics 2021-10-19 Zhensong Wan , Yijie Shen , Zhaoyang Wang , Zijian Shi , Qiang Liu , Xing Fu

We discuss computational procedures based on descriptor state-space realizations to compute proper range space bases of rational matrices. The main computation is the orthogonal reduction of the system matrix pencil to a special…

Systems and Control · Computer Science 2017-07-05 Andreas Varga

Kronecker products of unitary Fourier matrices play important role in solving multilevel circulant systems by a multidimensional Fast Fourier Transform. They are also special cases of complex Hadamard (Zeilinger) matrices arising in many…

Rings and Algebras · Mathematics 2010-11-22 Wojciech Tadej

Prior works on near-field beam training have mostly assumed dedicated polar-domain codebook and on-grid range estimation, which, however, may suffer long training overhead and degraded estimation accuracy. To address these issues, we…

Information Theory · Computer Science 2024-05-08 Xun Wu , Changsheng You , Jiapeng Li , Yunpu Zhang

Extremely large-scale array (XL-array) has emerged as one promising technology to improve the spectral efficiency and spatial resolution of future sixth generation (6G) wireless systems.The upsurge in the antenna number antennas renders…

Signal Processing · Electrical Eng. & Systems 2024-06-19 Cong Zhou , Chenyu Wu , Changsheng You , Shuo Shi

Tensor Kronecker products, the natural generalization of the matrix Kronecker product, are independently emerging in multiple research communities. Like their matrix counterpart, the tensor generalization gives structure for implicit…

Social and Information Networks · Computer Science 2022-06-14 Charles Colley , Huda Nassar , David Gleich

Spherical density functional theory (DFT) is a reformulation of the classic theorems of DFT, in which the role of the total density of a many-electron system is replaced by a set of sphericalized densities, constructed by…

Chemical Physics · Physics 2025-11-17 Sol Samuels , Chance M. Baxter , Susan R. Atlas

Optimizers that exploit the matrix structure of gradients are central to modern LLM pre-training, with two distinct frontiers: explicit Kronecker-factored preconditioning -- most recently KL-Shampoo, which estimates the preconditioner via…

Machine Learning · Computer Science 2026-05-08 Ruotong Sun , Ermin Wei

This letter is the first part of a three-part tutorial on orthogonal time frequency space (OTFS) modulation, which is a promising candidate waveform for future wireless networks. This letter introduces and compares two popular…

Information Theory · Computer Science 2022-09-13 Zhiqiang Wei , Shuangyang Li , Weijie Yuan , Robert Schober , Giuseppe Caire

In this article, we develop comprehensive frequency domain methods for estimating and inferring the second-order structure of spatial point processes. The main element here is on utilizing the discrete Fourier transform (DFT) of the point…

Methodology · Statistics 2025-01-24 Junho Yang , Yongtao Guan

First-principles density functional theory (DFT) codes which employ a localized basis offer advantages over those which use plane-wave bases, such as better scaling with system size and better suitability to low-dimensional systems. The…

Materials Science · Physics 2024-11-25 Daniel Bennett , Michele Pizzochero , Javier Junquera , Efthimios Kaxiras

Realistic physical phenomena exhibit random fluctuations across many scales in the input and output processes. Models of these phenomena require stochastic PDEs. For three-dimensional coupled (vector-valued) stochastic PDEs (SPDEs), for…

Computational Engineering, Finance, and Science · Computer Science 2022-08-24 Ajit Desai , Mohammad Khalil , Chris L. Pettit , Dominique Poirel , Abhijit Sarkar

Ultra-massive multiple-input multiple-output (UM-MIMO) technology is a key enabler for 6G networks, offering exceptional high data rates in millimeter-wave (mmWave) and Terahertz (THz) frequency bands. The deployment of large antenna arrays…

Signal Processing · Electrical Eng. & Systems 2025-03-19 Ahmed Hussain , Asmaa Abdallah , Abdulkadir Celik , Ahmed M. Eltawil
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