Related papers: Open-architecture Implementation of Fragment Molec…
The development of quantum computing for molecular simulations is constrained by the limited number of qubits available on current Noisy Intermediate-Scale Quantum (NISQ) devices. The present work introduces the Virtual Orbital…
The fragment molecular orbital (FMO) scheme is one of the popular fragmentation-based methods and has the potential advantage of making the circuit flat in quantum chemical calculations on quantum computers. In this study, we used a…
We extend the effective fragment molecular orbital method (EFMO) into treating fragments connected by covalent bonds. The accuracy of EFMO is compared to FMO and conventional ab initio electronic structure methods for polypeptides including…
Neuromorphic computing is a relatively new discipline of computer science, where the principles of biological brain's computation and memory are used to create a new way of processing information, based on networks of spiking neurons. Those…
This paper presents a new implementation of deterministic multiobjective (MO) optimization called Multiobjective Fractal Decomposition Algorithm (Mo-FDA). The original algorithm was designed for mono-objective large scale continuous…
Fragment Molecular Orbital (FMO) calculations provide a framework to speed up quantum mechanical calculations and so can be used to explore structure-energy relationships in large and complex biomolecular systems. These calculations are…
This paper presents the self-organized neuromorphic architecture named SOMA. The objective is to study neural-based self-organization in computing systems and to prove the feasibility of a self-organizing hardware structure. Considering…
The Transformer Machine Learning (ML) architecture has been gaining considerable momentum in recent years. In particular, computational High-Energy Physics tasks such as jet tagging and particle track reconstruction (tracking), have either…
Splitting the inference model between device, edge server, and cloud can improve the performance of EI greatly. Additionally, the non-orthogonal multiple access (NOMA), which is the key supporting technologies of B5G/6G, can achieve massive…
The paper presents investigations on the implementation and performance of the finite element numerical integration algorithm for first order approximations and three processor architectures, popular in scientific computing, classical CPU,…
H\"uckel molecular orbital (HMO) theory provides a semi-empirical treatment of the electronic structure in conjugated {\pi}-electronic systems. A scalable system-agnostic execution of HMO theory on a quantum computer is reported here based…
We developed a general framework for hybrid quantum-classical computing of molecular and periodic embedding approaches based on an orbital space separation of the fragment and environment degrees of freedom. We demonstrate its potential by…
The effective use of computer vision and machine learning for on-orbit applications has been hampered by limited computing capabilities, and therefore limited performance. While embedded systems utilizing ARM processors have been shown to…
This letter investigates computation offloading and transmit precoding co-design for multi-access edge computing (MEC), where multiple MEC users (MUs) equipped with multiple antennas access the MEC server in a non-orthogonal multiple access…
In the multi-cell multiuser multi-input multi-output (MU-MIMO) systems, fractional programming (FP) has demonstrated considerable effectiveness in optimizing beamforming vectors, yet it suffers from high computational complexity. Recent…
To cope with the unprecedented surge in demand for data computing for the applications, the promising concept of multi-access edge computing (MEC) has been proposed to enable the network edges to provide closer data processing for mobile…
In this article, a new generic higher-order finite-element framework for massively parallel simulations is presented. The modular software architecture is carefully designed to exploit the resources of modern and future supercomputers.…
In this paper, we investigate a non-orthogonal multiple access (NOMA) based mobile edge computing (MEC) network, in which two users may partially offload their respective tasks to a single MEC server through uplink NOMA. We propose a new…
Fluid-flow devices with low dissipation, but high contact area, are of importance in many applications. A well-known strategy to design such devices is multi-scale topology optimization (MTO), where optimal microstructures are designed…
Non-orthogonal multiple access (NOMA) is an interesting technology that enables massive connectivity as required in future 5G and 6G networks. While purely linear processing already achieves good performance in NOMA systems, in certain…