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We present a scalable dissipative particle dynamics simulation code, fully implemented on the Graphics Processing Units (GPUs) using a hybrid CUDA/MPI programming model, which achieves 10-30 times speedup on a single GPU over 16 CPU cores…
We propose a GPU-accelerated distributed optimization algorithm for controlling multi-phase optimal power flow in active distribution systems with dynamically changing topologies. To handle varying network configurations and enable…
A major goal of computational astrophysics is to simulate the Milky Way Galaxy with sufficient resolution down to individual stars. However, the scaling fails due to some small-scale, short-timescale phenomena, such as supernova explosions.…
This paper presents an accurate density computation approach for large dark matter simulations, based on a recently introduced phase-space tessellation technique and designed for massively parallel, heterogeneous cluster architectures. We…
Quantum computing holds great potential to accelerate the process of solving complex combinatorial optimization problems. The Distributed Quantum Approximate Optimization Algorithm (DQAOA) addresses high-dimensional, dense problems using…
Lattice spin models are useful for studying critical phenomena and allow the extraction of equilibrium and dynamical properties. Simulations of such systems are usually based on Monte Carlo (MC) techniques, and the main difficulty is often…
We propose an orbital optimized method for unitary coupled cluster theory (OO-UCC) within the variational quantum eigensolver (VQE) framework for quantum computers. OO-UCC variationally determines the coupled cluster amplitudes and also…
Numerical optimization techniques are widely used in a broad area of science and technology, from finding the minimal energy of systems in Physics or Chemistry to finding optimal routes in logistics or optimal strategies for high speed…
Future computing systems, from handhelds to supercomputers, will undoubtedly be more parallel and heterogeneous than todays systems to provide more performance and energy efficiency. Thus, GPUs are increasingly being used to accelerate…
NVIDIA has been the main provider of GPU hardware in HPC systems for over a decade. Most applications that benefit from GPUs have thus been developed and optimized for the NVIDIA software stack. Recent exascale HPC systems are, however,…
We introduce the Coarse-Grain Out-of-Order (CG- OoO) general purpose processor designed to achieve close to In-Order processor energy while maintaining Out-of-Order (OoO) performance. CG-OoO is an energy-performance proportional general…
Computer simulation with Monte Carlo is an important tool to investigate the function and equilibrium properties of many systems with biological and soft matter materials solvable in solvents. The appropriate treatment of long-range…
Particle swarm optimization (PSO) is a search algorithm based on stochastic and population-based adaptive optimization. In this paper, a pathfinding strategy is proposed to improve the efficiency of path planning for a broad range of…
In the fusion community, the use of high performance computing (HPC) has been mostly dominated by heavy-duty plasma simulations, such as those based on particle-in-cell and gyrokinetic codes. However, there has been a growing interest in…
This study addresses the challenge of simulating realistic particle systems by proposing a novel particle decomposition scheme that improves the parallel performance of surface resolved particle simulations. Realistic particle systems often…
In this paper I will outline some of the aspects and problems of modern celestial mechanics and stellar dynamics, in the context of the quickly growing computing facilities. I will point the attention on the great advantages in using, for…
Large-scale simulations of plasmas are essential for advancing our understanding of fusion devices, space, and astrophysical systems. Particle-in-Cell (PIC) codes have demonstrated their success in simulating numerous plasma phenomena on…
The increasing complexity and scale of cosmological N-body simulations, driven by astronomical surveys like Euclid, call for a paradigm shift towards more sustainable and energy-efficient high-performance computing (HPC). The rising energy…
Splotch is a rendering algorithm for exploration and visual discovery in particle-based datasets coming from astronomical observations or numerical simulations. The strengths of the approach are production of high quality imagery and…
This paper is aimed at improving the performance of the treecode algorithm for N-Body simulation by employing the NetSolve GridRPC programming model to exploit the use of multiple clusters. N-Body is a classical problem, and appears in many…