Related papers: Efficient Ab-Initio Molecular Dynamic Simulations …
We consider the Fast Fourier Transform (FFT) based numerical method for thin film magnetization problems [Vestg{\aa}rden and Johansen, SuST, 25 (2012) 104001], compare it with the finite element methods, and evaluate its accuracy. Proposed…
In many mechanical, electrical, and general physical systems evolving over time or space, spectral analysis methods as Fast Fourier Transform (FFT), Short Term Fourier Transform (STFT), Power Spectrum Density (PSD) plays a very important…
Fast-Fourier Transform (FFT) methods have been widely used in solid mechanics to address complex homogenization problems. However, current FFT-based methods face challenges that limit their applicability to intricate material models or…
We present a general framework for the efficient simulation of realistic fermionic systems with modern machine learning inspired representations of quantum many-body states, towards a universal tool for ab initio electronic structure. These…
In this paper, we use multithreaded fast Fourier transforms provided in three highly optimized packages, FFTW-2.1.5, FFTW-3.3.7, and Intel MKL FFT, to present a novel model-based parallel computing technique as a very effective and portable…
Recent research in deep learning (DL) has investigated the use of the Fast Fourier Transform (FFT) to accelerate the computations involved in Convolutional Neural Networks (CNNs) by replacing spatial convolution with element-wise…
Efficient molecular dynamics (MD) simulation is vital for understanding atomic-scale processes in materials science and biophysics. Traditional density functional theory (DFT) methods are computationally expensive, which limits the…
A new "on the fly" method to perform Born-Oppenheimer ab initio molecular dynamics (AIMD) is presented. Inspired by Ehrenfest dynamics in time-dependent density functional theory, the electronic orbitals are evolved by a Schroedinger-like…
This review article was first published in 2008 as chapter 11 in the book "Fast Fourier Transforms," edited by C. S. Burrus, for the Connexions project at Rice University, which is sadly no longer online. It gives a high-level overview of…
The use of reconfigurable computing, and FPGAs in particular, to accelerate computational kernels has the potential to be of great benefit to scientific codes and the HPC community in general. However, whilst recent advanced in FPGA tooling…
Performing full-resolution atomistic simulations of nucleic acid folding has remained a challenge for biomolecular modeling. Understanding how nucleic acids fold and how they transition between different folded structures as they unfold and…
Photoacoustic (PA) imaging has been widely applied in both preclinical and clinical applications. With a significantly increasing number of data acquisition channels, fast and high-quality image reconstruction for real-time PA imaging is an…
The fractional Fourier transform (FrFT), a fundamental operation in physics that corresponds to a rotation of phase space by any angle, is also an indispensable tool employed in digital signal processing for noise reduction. Processing of…
There has been abundant research on the development of Approximate Circuits (ACs) for ASICs. However, previous studies have illustrated that ASIC-based ACs offer asymmetrical gains in FPGA-based accelerators. Therefore, an AC that might be…
This paper proposes several explicit and implicit multistep frequency response optimized integrators considering first or second order derivative. A prediction-based method aiming at accelerating a novel power system transient simulation…
Machine-learned interatomic potentials are revolutionising atomistic materials simulations by providing accurate and scalable predictions within the scope covered by the training data. However, generation of an accurate and robust training…
The Number Theoretic Transform (NTT) is an indispensable tool for computing efficient polynomial multiplications in post-quantum lattice-based cryptography. It has strong resemblance with the Fast Fourier Transform (FFT), which is the most…
This paper presents a complete video fusion system with hardware acceleration and investigates the energy trade-offs between computing in the CPU or the FPGA device. The video fusion application is based on the Dual-Tree Complex Wavelet…
Quantum chemistry simulations that accurately predict the properties of materials are among the most highly anticipated applications of quantum computing. It is widely believed that simulations running on quantum computers will allow for…
Deep learning (DL) has emerged as a rapidly developing advanced technology, enabling the performance of complex tasks involving image recognition, natural language processing, and autonomous decision-making with high levels of accuracy.…