相关论文: AICA: a New Pair Force Evaluation Method for Paral…

This article presents new algorithms for massively parallel granular dynamics simulations on distributed memory architectures using a domain partitioning approach. Collisions are modelled with hard contacts in order to hide their…

A new approach is developed to integrate numerically the equations of motion for systems of interacting rigid polyatomic molecules. With the aid of a leapfrog framework, we directly involve principal angular velocities into the integration,…

The next-generation wireless networks are envisioned to support large-scale sensing and distributed machine learning, thereby enabling new intelligent mobile applications. One common network operation will be the aggregation of distributed…

GROMACS is a widely used package for biomolecular simulation, and over the last two decades it has evolved from small-scale efficiency to advanced heterogeneous acceleration and multi-level parallelism targeting some of the largest…

Multiparticle collision dynamics (MPCD) is a relatively new algorithm of fluid flow simulations that has been applied mostly to flows around simple objects. One might ask how it behaves in more complex flows. Therefore, we extend MPCD to…

Distributed coordination algorithms (DCA) carry out information processing processes among a group of networked agents without centralized information fusion. Though it is well known that DCA characterized by an SIA (stochastic,…

Interference Alignment (IA) is technique that, in a large sense, makes use of the increasing signal dimensions available in the system through MIMO and OFDM technologies in order to globally reduce the interference suffered by users in a…

Layered Cellular Automata (LCA) extends the concept of traditional cellular automata (CA) to model complex systems and phenomena. In LCA, each cell's next state is determined by the interaction of two layers of computation, allowing for…

We present a computational algorithm for computing short range forces between particles. The algorithm has two distinguishing features. First, it is optimized for multi-processor computers, and will use as many processors as are available.…

In the calculation of thermodynamic properties and three dimensional structures of macromolecules, such as proteins, it is important to have a good algorithm for computing solvent accessible surface area of macromolecules. Here we propose a…

Molecular dynamics (MD) simulation, which is considered an important tool for studying physical and chemical processes at the atomic scale, requires accurate calculations of energies and forces. Although reliable energies and forces can be…

Independent Mechanism Analysis (IMA) seeks to address non-identifiability in nonlinear Independent Component Analysis (ICA) by assuming that the Jacobian of the mixing function has orthogonal columns. As typical in ICA, previous work…

This paper presents PowerModelsADA, an open-source framework for solving Optimal Power Flow (OPF) problems using Alternating Distributed Algorithms (ADA). PowerModelsADA provides a framework to test, verify, and benchmark both existing and…

We present a novel class of methods to compute functions of matrices or their action on vectors that are suitable for parallel programming. Solving appropriate simple linear systems of equations in parallel (or computing the inverse of…

The mechanisms of physical and chemical interactions of low temperature plasmas with surfaces can be fruitfully explored using molecular dynamics (MD) simulations. MD simulations follow the detailed motion of sets of interacting atoms…

Molecular simulation technologies have afforded researchers a unique look into the nanoscale interactions driving physical processes. However, a limitation for molecular dynamics (MD) simulations is that they must be performed on…

The probabilistic cellular automaton (PCA) method is highlighted for its relatively simple numerical algorithm and low computational cost in the simulation of microstructural evolution. In this method, probabilistic state change rules are…

Molecular dynamics (MD) simulates the time evolution of atomic systems governed by interatomic forces, and the fidelity of these simulations depends critically on the underlying force model. Classical force fields (CFFs) rely on fixed…

Motion Cueing Algorithms (MCAs) encode the movement of simulated vehicles into movement that can be reproduced with a motion simulator to provide a realistic driving experience within the capabilities of the machine. This paper introduces a…

Molecular Dynamics (MD) simulations are essential for accurately predicting the physical and chemical properties of large molecular systems across various pressure and temperature ensembles. However, the high computational costs associated…