Related papers: MiMiC: A High-Performance Framework for Multiscale…
Molecular dynamics (MD) simulation is a powerful computational tool to study the behavior of macromolecular systems. But many simulations of this field are limited in spatial or temporal scale by the available computational resource. In…
Near-term quantum computing technologies grapple with huge complexity overheads, hindering their ability to induce algorithms, necessitating engineering and scientific innovations. One class of problems of interest is Quantum Simulation,…
This paper proposes a form of MPC in which the control variables are moved asynchronously. This contrasts with most MIMO control schemes, which assume that all variables are updated simultaneously. MPC outperforms other control strategies…
Quantum computing is advancing rapidly in hardware and algorithms, but broad accessibility demands a comprehensive, efficient, unified software stack. Such a stack must flexibly span diverse hardware and evolving algorithms, expose usable…
The phase-field method has become a useful tool for the simulation of classical metallurgical phase transformations as well as other phenomena related to materials science. The thermodynamic consistency that forms the basis of these…
The implicit 2D3V particle-in-cell (PIC) code developed to study the interaction of ultrashort pulse lasers with matter [G. M. Petrov and J. Davis, Computer Phys. Comm. 179, 868 (2008); Phys. Plasmas 18, 073102 (2011)] has been parallelized…
Quantum simulation is a leading candidate for demonstrating practical quantum advantage over classical computation, as it is believed to provide exponentially more compute power than any classical system. It offers new means of studying the…
System-level design methodologies have been introduced as a solution to handle the design complexity of mixed Hardware / Software systems. In this paper we describe a system-level design flow starting from Simulink specification, focusing…
A range of computational biology software (GROMACS, AMBER, NAMD, LAMMPS, OpenMM, Psi4 and RELION) was benchmarked on a representative selection of HPC hardware, including AMD EPYC 7742 CPU nodes, NVIDIA V100 and AMD MI250X GPU nodes, and an…
An overview is given of the QCDOC architecture, a massively parallel and highly scalable computer optimized for lattice QCD using system-on-a-chip technology. The heart of a single node is the PowerPC-based QCDOC ASIC, developed in…
In a co-simulation context, interconnected systems of differential equations are solved separately but they regularly communicate data to one another during these resolutions. Iterative co-simulation methods have been developed in order to…
The rapid development in computing technology has paved the way for directive-based programming models towards a principal role in maintaining software portability of performance-critical applications. Efforts on such models involve a least…
Molecular simulation is a scientific tool dealing with challenges in material science and biology. This is reflected in a permanent development and enhancement of algorithms within scientific simulation packages. Here, we present…
Many powerful machine learning models are based on the composition of multiple processing layers, such as deep nets, which gives rise to nonconvex objective functions. A general, recent approach to optimise such "nested" functions is the…
The connection and eventual integration of High-Performance Computing (HPC) with Quantum Computing (QC) represents a transformative advancement in computational technology, promising significant enhancements in solving complex, previously…
The increasing number of processing elements and decreas- ing memory to core ratio in modern high-performance platforms makes efficient strong scaling a key requirement for numerical algorithms. In order to achieve efficient scalability on…
The adoption of high-performance multi-core platforms in avionics and automotive systems introduces significant challenges in ensuring predictable execution, primarily due to shared resource interferences. Many existing approaches study…
Development of applications related to closed-loop control requires either testing on the field or on a realistic simulator, with the latter being more convenient, inexpensive, safe, and leading to shorter development cycles. To address…
Models of High-level Computation (MHCs) provide effective means to describe complex real-world computing systems because they offer formal foundations for the specification of interacting computing devices, as opposed to describing…
Computational micromagnetics requires numerical solution of partial differential equations to resolve complex interactions in magnetic nanomaterials. The Virtual Micromagnetics project described here provides virtual machine simulation…