Related papers: Efficient Ab-Initio Molecular Dynamic Simulations …
The technologically-relevant task of feature extraction from data performed in deep-learning systems is routinely accomplished as repeated fast Fourier transforms (FFT) electronically in prevalent domain-specific architectures such as in…
Very deep submicron and nanometer technologies have increased notably integrated circuit (IC) sensitiveness to radiation. Soft errors are currently appearing into ICs working at earth surface. Hardened circuits are currently required in…
This research work focuses on the design of a high-resolution fast Fourier transform (FFT) /inverse fast Fourier transform (IFFT) processors for constraints analysis purpose. Amongst the major setbacks associated with such high resolution,…
Simulating the full dynamics of a quantum field theory over a wide range of energies requires exceptionally large quantum computing resources. Yet for many observables in particle physics, perturbative techniques are sufficient to…
The FFT of three-dimensional (3D) input data is an important computational kernel of numerical simulations and is widely used in High Performance Computing (HPC) codes running on a large number of processors. Performance of many scientific…
Quantum mechanics based ab-initio molecular dynamics (MD) simulation schemes offer an accurate and direct means to monitor the time-evolution of materials. Nevertheless, the expensive and repetitive energy and force computations required in…
The design of microfluidic devices is a cumbersome and tedious process that can be significantly improved by simulation. Methods based on Computational Fluid Dynamics (CFD) are considered state-of-the-art, but require extensive compute time…
The implementation of Molecular Dynamics (MD) on FPGAs has received substantial attention. Previous work, however, has consisted of either proof-of-concept implementations of components, usually the range-limited force; full systems, but…
Image computation is a fundamental tool for performance assessment of astronomical instrumentation, usually implemented by Fourier transform techniques. We review the numerical implementation, evaluating a direct implementation of the…
The discrete Fourier transform (DFT) is widely employed for multi-beam digital beamforming. The DFT can be efficiently implemented through the use of fast Fourier transform (FFT) algorithms, thus reducing chip area, power consumption,…
Fast Fourier Transform (FFT) is an essential tool in scientific and engineering computation. The increasing demand for mixed-precision FFT has made it possible to utilize half-precision floating-point (FP16) arithmetic for faster speed and…
The standard particle-in-cell algorithm suffers from grid heating. There exists a gridless alternative which bypasses the deposition step and calculates each Fourier mode of the charge density directly from the particle positions. We show…
Molecular dynamics (MD) simulation is one of the past decade's most important tools for enabling biology scientists and researchers to explore human health and diseases. However, due to the computation complexity of the MD algorithm, it…
Accurate simulations of various physical processes on digital computers requires huge computing performance, therefore accelerating these scientific and engineering applications has a great importance. Density of programmable logic devices…
In this paper, we propose an architecture for FPGA emulation of mixed-signal systems that achieves high accuracy at a high throughput. We represent the analog output of a block as a superposition of step responses to changes in its analog…
In this paper, a new fast and low complexity transform is introduced for orthogonal frequency division multiplexing (OFDM) wireless systems. The new transform combines the effects of fast complex-Walsh-Hadamard transform (CHT) and the fast…
This study explores the use of automatic BLAS offloading and INT8-based emulation for accelerating traditional HPC workloads on modern GPU architectures. Through the use of low-bitwidth integer units and cache-coherent Unified Memory…
Diffuse scattering is a rich source of information about disorder in crystalline materials, which can be modelled using atomistic techniques such as Monte Carlo and molecular dynamics simulations. Modern X-ray and neutron scattering…
We push the boundaries of electronic structure-based \textit{ab-initio} molecular dynamics (AIMD) beyond 100 million atoms. This scale is otherwise barely reachable with classical force-field methods or novel neural network and machine…
Computing needs for high energy physics are already intensive and are expected to increase drastically in the coming years. In this context, heterogeneous computing, specifically as-a-service computing, has the potential for significant…