相关论文: Event-Driven Molecular Dynamics in Parallel
Complex Event Processing (CEP) is a stream processing model that focuses on detecting event patterns in continuous event streams. While the CEP model has gained popularity in the research communities and commercial technologies, the problem…
The objective of this article is to report the parallel implementation of the 3D molecular dynamic simulation code for laser-cluster interactions. The benchmarking of the code has been done by comparing the simulation results with some of…
Efficient virtual machine load balancing scheduling is crucial in cloud computing to optimize resource utilization and system performance. To address this issue, several load balancing scheduling algorithms have been proposed, including…
The linked cell list algorithm is an essential part of molecular simulation software, both molecular dynamics and Monte Carlo. Though it scales linearly with the number of particles, there has been a constant interest in increasing its…
A version of the time-parallel algorithm parareal is analyzed and applied to stochastic models in chemical kinetics. A fast predictor at the macroscopic scale (evaluated in serial) is available in the form of the usual reaction rate…
Diffusive molecular dynamics is a novel model for materials with atomistic resolution that can reach diffusive time scales. The main ideas of diffusive molecular dynamics are to first minimize an approximate variational Gaussian free energy…
Shadow molecular dynamics provide an efficient and stable atomistic simulation framework for flexible charge models with long-range electrostatic interactions. While previous implementations have been limited to atomic monopole charge…
Association rule mining is a time consuming process due to involving both data intensive and computation intensive nature. In order to mine large volume of data and to enhance the scalability and performance of existing sequential…
Implementing a component-based system in a distributed way so that it ensures some global constraints is a challenging problem. We consider here abstract specifications consisting of a composition of components and a controller given in the…
Prototyping and implementing distributed algorithms, particularly those that address challenges related with fault-tolerance and dependability, is a time consuming task. This is, in part, due to the need of addressing low level aspects such…
Piecewise smooth hybrid systems, involving continuous and discrete variables, are suitable models for describing the multiscale regulatory machinery of the biological cells. In hybrid models, the discrete variables can switch on and off…
An efficient parallelization approach to simulate optical properties of ensembles of quantum emitters in realistic electromagnetic environments is considered. It relies on balancing computing load of utilized processors and is built into…
The state-of-art of the technology focuses on data processing to deal with massive amount of data. Cloud computing is an emerging technology, which enables one to accomplish the aforementioned objective, leading towards improved business…
The main goal of parallel processing is to provide users with performance that is much better than that of single processor systems. The execution of jobs is scheduled, which requires certain resources in order to meet certain criteria.…
A new Markov Chain Monte Carlo method for simulating the dynamics of molecular systems characterized by hard-core interactions is introduced. In contrast to traditional Kinetic Monte Carlo approaches, where the state of the system is…
A new approach for integration of motion in many-body systems of interacting polyatomic molecules is proposed. It is based on splitting time propagation of pseudo-variables in a modified phase space, while the real translational and…
Large molecular dynamics simulations (millions of atoms, tens of microseconds, thousands of processors) hit the strong scalability wall: simulation on twice as many processors does not take half the time. Inspired by large N-body space…
Parallel computing has turned out to be the enabling technology to solve complex physical systems. However, the transition from shared memory, vector computers to massively parallel, distributed memory systems and, recently, to hybrid…
Explicit simulations of fluid mixtures of highly size-dispersed particles are constrained by numerical challenges associated with identifying pair-interaction neighbors. Recent algorithmic developments have ameliorated these difficulties to…
The advent of hybrid computing platforms consisting of quantum processing units integrated with conventional high-performance computing brings new opportunities for algorithm design. By strategically offloading select portions of the…