相关论文: High-throughput electronic band structure calculat…

In this article, we combine the periodic sinc basis set with a curvilinear coordinate system for electronic structure calculations. This extension allows for variable resolution across the computational domain, with higher resolution close…

We develop a new approach for construction of convex analytically simple regions where the AC power flow equations are guaranteed to have a feasible solutions. Construction of these regions is based on efficient semidefinite programming…

Assuming a banded structure is one of the common practice in the estimation of high-dimensional precision matrix. In this case, estimating the bandwidth of the precision matrix is a crucial initial step for subsequent analysis. Although…

Diagonalization of a large matrix is the computational bottleneck in many applications such as electronic structure calculations. We show that a speedup of over 30% can be achieved by exploiting 32-bit floating point operations, while…

Traditional materials discovery approaches - relying primarily on laborious experiments - have controlled the pace of technology. Instead, computational approaches offer an accelerated path: high-throughput exploration and characterization…

This paper introduces an efficient design approach for a fast-convolution-based variable-bandwidth (VBW) filter. The proposed approach is based on a hybrid of frequency sampling and optimization (HFSO), that offers significant computational…

We present a new way to construct analytical solutions for flow in complex microfluidic channel networks, as well as planar disordered media. Using a combination of Schwarz-Christoffel maps and segmentation techniques inspired by integrated…

Spectrum sensing and analysis is crucial for a variety of reasons, including regulatory compliance, interference detection and mitigation, and spectrum resource planning and optimization. Effective, real-time spectrum analysis remains a…

Over-the-air computation (AirComp) has traditionally been built on the principle of pre-embedding computation into transmitted waveforms or on exploiting massive antenna arrays, often requiring the wireless multiple-access channel (MAC) to…

Numerical simulations can help solve complex problems. Most of these algorithms are massively parallel and thus good candidates for FPGA acceleration thanks to spatial parallelism. Modern FPGA devices can leverage high-bandwidth memory…

Band structure unfolding is a key technique for analyzing and simplifying the electronic band structure of large, internally distorted supercells that break the primitive cell's translational symmetry. In this work, we present an efficient…

We have developed a set of techniques for performing large scale ab initio calculations using multigrid accelerations and a real-space grid as a basis. The multigrid methods permit efficient calculations on ill-conditioned systems with long…

Wireless baseband processing (WBP) is a key element of wireless communications, with a series of signal processing modules to improve data throughput and counter channel fading. Conventional hardware solutions, such as digital signal…

We consider the calculation of the band structure of frequency dependent photonic crystals. The associated eigenvalue problem is nonlinear and it is challenging to develop effective convergent numerical methods. In this paper, the band…

Density functional theory within the local or semilocal density approximations (DFT-LDA/GGA) has become a workhorse in electronic structure theory of solids, being extremely fast and reliable for energetics and structural properties, yet…

High-throughput materials synthesis methods have risen in popularity due to their potential to accelerate the design and discovery of novel functional materials, such as solution-processed semiconductors. After synthesis, key material…

Proof autoformalization, the task of translating natural language theorems and proofs into machine-verifiable code, is a critical step for integrating large language models into rigorous mathematical workflows. Current approaches focus on…

The pursuit of high-performance data transfer often focuses on raw network bandwidth. International links of 100 Gbps or higher are frequently considered the primary enabler. While necessary, this network-centric view is incomplete. It…

We present an approach to solid-state electronic-structure calculations based on the finite-element method. In this method, the basis functions are strictly local, piecewise polynomials. Because the basis is composed of polynomials, the…

Frequency-encoded quantum information offers intriguing opportunities for quantum communications and networking, with the quantum frequency processor paradigm -- based on electro-optic phase modulators and Fourier-transform pulse shapers --…