相关论文: Message-Passing Multi-Cell Molecular Dynamics on t…

In this paper we present the concept of MPF, Message Passing Fluid, an abstract fluid where the molecules move by mean of the informations that they exchange each other, on the basis of rules and methods of a generalized Cellular Automaton.…

In this paper, we propose an energy-efficient spatial modulation based molecular communication (SM-MC) scheme, in which a transmitted symbol is composed of two parts, i.e., a space derived symbol and a concentration derived symbol. The…

We report the results of intensive numerical calculations for four atomic H2+H2 energy transfer collision. A parallel computing technique based on LAM/MPI functions is used. In this algorithm, the data is distributed to the processors…

Understanding molecular structure, dynamics, and reactivity requires bridging processes that occur across widely separated time scales. Conventional molecular dynamics simulations provide atomistic resolution, but their femtosecond time…

The computer revolution has been driven by a sustained increase of computational speed of approximately one order of magnitude (a factor of ten) every five years since about 1950. In natural sciences this has led to a continuous increase of…

Bosonic exchange symmetry leads to fascinating quantum phenomena, from exciton condensation in quantum materials to the superfluidity of liquid Helium-4. Unfortunately, path integral molecular dynamics (PIMD) simulations of bosons are…

Simulations of biological macromolecules play an important role in understanding the physical basis of a number of complex processes such as protein folding. Even with increasing computational power and evolution of specialized…

Stochastic models of reaction-diffusion systems are important for the study of biochemical reaction networks where species are present in low copy numbers or if reactions are highly diffusion limited. In living cells many such systems…

In recent years, the training requirements of many state-of-the-art Deep Learning (DL) models have scaled beyond the compute and memory capabilities of a single processor, and necessitated distribution among processors. Training such…

We introduce a natively distributed mini-application benchmark representative of plastic spiking neural network simulators. It can be used to measure performances of existing computing platforms and to drive the development of future…

Molecular communication via diffusion (MCvD) is a molecular communication method that utilizes the free diffusion of carrier molecules to transfer information at the nano-scale. Due to the random propagation of carrier molecules,…

Exascale systems are predicted to have approximately one billion cores, assuming Gigahertz cores. Limitations on affordable network topologies for distributed memory systems of such massive scale bring new challenges to the current parallel…

Strategies to improve the predicting performance of Message-Passing Neural-Networks for molecular property predictions can be achieved by simplifying how the message is passed and by using descriptors that capture multiple aspects of…

In this paper, a communication-efficient multi-processor compressed sensing framework based on the approximate message passing algorithm is proposed. We perform lossy compression on the data being communicated between processors, resulting…

We describe an algorithm for dynamic load balancing of geometrically parallelized synchronous Monte Carlo simulations of physical models. This algorithm is designed for a (heterogeneous) multiprocessor system of the MIMD type with…

This paper presents some of our findings on the scalability of parallel 3D mesh generation on distributed memory machines. The primary objective of this study was to evaluate a distributed memory approach for implementing a 3D parallel…

Design considerations for molecular dynamics algorithms capable of taking advantage of the computational power of a graphics processing unit (GPU) are described. Accommodating the constraints of scalable streaming-multiprocessor hardware…

As quantum devices continue to scale, distributed quantum computing emerges as a promising strategy for executing large-scale tasks across modular quantum processors. A central challenge in this paradigm is verifying the correctness of…

Particle-in-cell merging algorithms aim to resample dynamically the six-dimensional phase space occupied by particles without distorting substantially the physical description of the system. Whereas various approaches have been proposed in…

A new class of parallel algorithms is introduced that can achieve a complexity of O(n^3/2) with respect to the interprocessor communication, in the exact computation of systems with pairwise mutual interactions of all elements. Hitherto,…