相关论文: Open-architecture Implementation of Fragment Molec…

Data movement is the dominating factor affecting performance and energy in modern computing systems. Consequently, many algorithms have been developed to minimize the number of I/O operations for common computing patterns. Matrix…

Upcoming physical layer (PHY) processing solutions, leveraging multiple-input multiple-output (MIMO) advances, are expected to support broad transmission bandwidths and the concurrent transmission of multiple information streams. However,…

The aim of this paper is to present an adaptable Fat Tree NoC architecture for Field Programmable Gate Array (FPGA) designed for image analysis applications. Traditional NoCs (Network on Chip) are not optimal for dataflow applications with…

The effective mass approximation (EMA) could be an efficient method for the computational study of semiconductor nanostructures with sizes too large to be handled by first-principles calculations, but the scheme to accurately and reliably…

Existing binary Transformers are promising in edge deployment due to their compact model size, low computational complexity, and considerable inference accuracy. However, deploying binary Transformers faces challenges on prior processors…

This study was aimed at simultaneously achieving sufficient accuracy and high performance for general matrix multiplications. Recent architectures, such as NVIDIA GPUs, feature high-performance units designed for low-precision matrix…

This study benchmarks the GFN family of semiempirical methods (GFN1-xTB, GFN2-xTB, GFN0-xTB, and GFN-FF) against density functional theory (DFT) for the evaluation of optimized molecular geometries and electronic properties of small organic…

We develop an algorithm to solve tridiagonal systems of linear equations, which appear in implicit finite-difference schemes of partial differential equations (PDEs), being the time-dependent Schr\"{o}dinger equation (TDSE) an ideal…

The technological exploitation of ferroelectricity in CMOS electron devices offers new design opportunities, but also significant challenges from an integration, optimization and modelling perspective. We here revisit the working principle…

We present an open geometry Fourier modal method based on a new combination of open boundary conditions and an efficient $k$-space discretization. The open boundary of the computational domain is obtained using basis functions that expand…

The MammoGrid project has deployed its Service-Oriented Architecture (SOA)-based Grid application in a real environment comprising actual participating hospitals. The resultant setup is currently being exploited to conduct rigorous in-house…

Machine learning based methods have shown potential for optimizing existing molecules with more desirable properties, a critical step towards accelerating new chemical discovery. Here we propose QMO, a generic query-based molecule…

Physics-driven artificial intelligence (PD-AI) reconstruction methods have emerged as the state-of-the-art for accelerating MRI scans, enabling higher spatial and temporal resolutions. However, the high resolution of these scans generates…

High-throughput quantum-chemical calculations underpin modern molecular modelling, materials discovery, and machine-learning workflows, yet even semi-empirical methods become restrictive when many molecules must be evaluated. Here we report…

In this paper, we present an efficient adaptive multigrid strategy for the geometry optimization of large-scale three dimensional molecular mechanics. The resulting method can achieve significantly reduced complexity by exploiting the…

How to meet the demand for increasing number of users, higher data rates, and stringent quality-of-service (QoS) in the beyond fifth-generation (B5G) networks? Cell-free massive multiple-input multiple-output (MIMO) is considered as a…

The concurrent optimization of topology and fibre orientation is a promising approach to pursue higher strength and lighter weight of variable-stiffness structure. This study proposes a novel discrete-continuous scheme for the concurrent…

The impending termination of Moore's law motivates the search for new forms of computing to continue the performance scaling we have grown accustomed to. Among the many emerging Post-Moore computing candidates, perhaps none is as salient as…

This study proposes a new router architecture to improve the performance of dynamic allocation of virtual channels. The proposed router is designed to reduce the hardware complexity and to improve power and area consumption, simultaneously.…

We introduce the concept of fractured stochastic orbitals (FSOs), short vectors that sample a small number of space points and enable an efficient stochastic sampling of any general function. As a first demonstration, FSOs are applied in…