Related papers: Simplifying FFT-based methods for solid mechanics …
The Fast Fourier Transform (FFT) is a fundamental numerical technique with widespread application in a range of scientific problems. As scientific simulations attempt to exploit exascale systems, there has been a growing demand for…
The conformal field theory (CFT) approach to Kondo problems, originally developed by Affleck and Ludwig (AL), has greatly advanced the fundamental knowledge of Kondo physics. The CFT approach to Kondo impurities is based on a necessary…
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…
We further develop a recently introduced phase-field model of rapid alloy solidification [Ji et al., PRL 2023]. This model utilizes enhanced solute diffusivity within the spatially diffuse interface region to quantitatively capture solute…
Encoding frequency stability constraints in the operation problem is challenging due to its complex dynamics. Recently, data-driven approaches have been proposed to learn the stability criteria offline with the trained model embedded as a…
Computational homogenization is the gold standard for concurrent multi-scale simulations (e.g., FE2) in scale-bridging applications. Experimental and synthetic material microstructures are often represented by 3D image data. The…
Although multi-task learning is widely applied in intelligent services, traditional multi-task modeling methods often require customized designs based on specific task combinations, resulting in a cumbersome modeling process. Inspired by…
Many interesting and fundamentally practical optimization problems, ranging from optics, to signal processing, to radar and acoustics, involve constraints on the Fourier transform of a function. It is well-known that the {\em fast Fourier…
The Finite Element Method (FEM) is the gold standard for spatial discretization in numerical simulations for a wide spectrum of real-world engineering problems. Prototypical areas of interest include linear heat transfer and linear…
In the field of digital signal processing, the fast Fourier transform (FFT) is a fundamental algorithm, with its processors being implemented using either the pipelined architecture, well-known for high-throughput applications but weak in…
The performance of finite element solvers on modern computer architectures is typically memory bound for sufficiently large problems. The main cause for this is that loading matrix elements from RAM into CPU cache is significantly slower…
The phase field fracture method has emerged as a promising computational tool for modelling a variety of problems including, since recently, hydrogen embrittlement and stress corrosion cracking. In this work, we demonstrate the potential of…
The computational analysis of fiber network fracture is an emerging field with application to paper, rubber-like materials, hydrogels, soft biological tissue, and composites. Fiber networks are often described as probabilistic structures of…
In this paper, we propose a differentiable version of the short-time Fourier transform (STFT) that allows for gradient-based optimization of the hop length or the frame temporal position by making these parameters continuous. Our approach…
Density functional theory (DFT) has been a cornerstone in computational chemistry, physics, and materials science for decades, benefiting from advancements in computational power and theoretical methods. This paper introduces a novel,…
Density functional theory (DFT) plays a pivotal role for the chemical and materials science due to its relatively high predictive power, applicability, versatility and computational efficiency. We review recent progress in machine learning…
Modeling the propagation of cracks at the microscopic level is fundamental to understand the effect of the microstructure on the fracture process. Nevertheless, microscopic propagation is often unstable and when using phase field fracture…
Density functional theory (DFT) became a universal approach to compute ground-state and excited configurations of many-electron systems held together by an external one-body potential in condensed-matter, atomic, and molecular physics. At…
The short-time Fourier transform (STFT) is widely used for analyzing non-stationary signals. However, its performance is highly sensitive to its parameters, and manual or heuristic tuning often yields suboptimal results. To overcome this…
Wavefront shaping can tailor multipath interference to control multiple scattering of waves in complex optical systems. However, full-wave simulations that capture multiple scattering are computationally demanding given the large system…