Related papers: Event-Driven Molecular Dynamics in Parallel
We extend the event-chain Monte Carlo algorithm from hard-sphere interactions to the micro-canonical ensemble (constant potential energy) for general potentials. This event-driven Monte Carlo algorithm is non-local, rejection-free, and…
Metastability is a common obstacle to performing long molecular dynamics simulations. Many numerical methods have been proposed to overcome it. One method is parallel replica dynamics, which relies on the rapid convergence of the underlying…
Molecular dynamics is widely used to study various phenomena, such as diffusion, shock wave propagation, and plasma dynamics. A wide range of software packages supports the expanding scope of molecular dynamics applications. However, the…
The quasi-neutral hybrid model with kinetic ions and fluid electrons is a promising approach for bridging the inherent multi-scale nature of many problems in space and laboratory plasmas. Here, a novel, implicit, particle-in-cell based…
As the demand of real time computing increases day by day, there is a major paradigm shift in processing platform of real time system from single core to multi-core platform which provides advantages like higher throughput, linear power…
Prediction and optimisation of a wheel loader's dynamic behaviour is a challenge due to tightly coupled, non-linear subsystems of different technical domains. Furthermore, a simulation regarding performance, efficiency, and operability…
This paper investigates co-scheduling algorithms for processing a set of parallel applications. Instead of executing each application one by one, using a maximum degree of parallelism for each of them, we aim at scheduling several…
This paper proposes a framework to design an event-triggered based robust control law for linear uncertain system. The robust control law is realized through both static and dynamic event-triggering approach to reduce the computation and…
Efficient implementations of the classical molecular dynamics (MD) method for Lennard-Jones particle systems are considered. Not only general algorithms but also techniques that are efficient for some specific CPU architectures are also…
This paper presents a technique which exploits the occurrence of certain events as observed by different sensors, to detect and classify objects. This technique explores the extent of dependence between features being observed by the…
In this paper, we derive and investigate approaches to dynamically load balance a distributed task parallel application software. The load balancing strategy is based on task migration. Busy processes export parts of their ready task queue…
Numerous algorithms and parallelisations have been developed for short-range particle simulations; however, none are optimally performant for all scenarios. Such a concept led to the prior development of the particle simulation library…
With the advent of exascale computing, effective load balancing in massively parallel software applications is critically important for leveraging the full potential of high performance computing systems. Load balancing is the distribution…
The ever-increasing demand for data services and the proliferation of user equipment (UE) have resulted in a significant rise in the volume of mobile traffic. Moreover, in multi-band networks, non-uniform traffic distribution among…
Consider a system in which tasks of different execution times arrive continuously and have to be executed by a set of processors that are prone to crashes and restarts. In this paper we model and study the impact of parallelism and failures…
We study the problem of scheduling a general computational DAG on multiple processors in a 2-level memory hierarchy. This setting is a natural generalization of several prominent models in the literature, and it simultaneously captures…
The ability to perform ab initio molecular dynamics simulations using potential energies calculated on quantum computers would allow virtually exact dynamics for chemical and biochemical systems, with substantial impacts on the fields of…
The notion of events has occupied a central role in modeling and has an influence in computer science and philosophy. Recent developments in diagrammatic modeling have made it possible to examine conceptual representation of events. This…
The introduction of accelerator devices such as graphics processing units (GPUs) has had profound impact on molecular dynamics simulations and has enabled order-of-magnitude performance advances using commodity hardware. To fully reap these…
We present a load balancing strategy for hybrid particle-mesh methods that is based on domain decomposition and element-local time measurement. This new strategy is compared to our previous approach, which assumes a constant weighting…