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

Independent component analysis (ICA) is a powerful computational tool for separating independent source signals from their linear mixtures. ICA has been widely applied in neuroimaging studies to identify and characterize underlying brain…

This paper studies interference alignment (IA) based multi-cell cooperative resource allocation for the downlink OFDMA with universal frequency reuse. Unlike the traditional scheme that treats subcarriers as separate dimensions for resource…

Artificial Immune System (AIS-MACA) a novel computational intelligence technique is can be used for strengthening the automated protein prediction system with more adaptability and incorporating more parallelism to the system. Most of the…

United-Atom (UA) force fields are usually constructed using a Boltzmann-inverse method based on distributions obtained from Monte-Carlo simulations. A new method of constructing UA force fields from All-Atom (AA) molecular dynamics…

We push the boundaries of electronic structure-based \textit{ab-initio} molecular dynamics (AIMD) beyond 100 million atoms. This scale is otherwise barely reachable with classical force-field methods or novel neural network and machine…

Molecular dynamics (MD) simulations are essential for studying complex molecular systems, but their high computational cost limits scalability. Coarse-grained (CG) models reduce this cost by simplifying the system, yet traditional…

We present two modifications of the standard cell list algorithm for nonequilibrium molecular dynamics simulations of homogeneous, linear flows. When such a flow is modeled with periodic boundary conditions, the simulation box deforms with…

This study employed an artificial intelligence-enhanced molecular simulation framework to enable efficient Path Integral Molecular Dynamics (PIMD) simulations. Owing to its modular architecture and high-throughput capabilities, the…

Interference alignment (IA) is a promising technique to efficiently mitigate interference and to enhance the capacity of a wireless communication network. This paper proposes a grouping-based interference alignment (GIA) with optimized…

This article describes algorithms for the hybrid parallelization and SIMD vectorization of molecular dynamics simulations with short-range forces. The parallelization method combines domain decomposition with a thread-based parallelization…

For simulating laser-plasma interactions, we developed a parallel, multi-dimensional, fully relativistically particle-in-cell (PIC) code, named YUNIC. The core algorithm is introduced, including field solver, particle pusher, field…

Conventional molecular dynamics (MD) simulation approaches, such as $\textit{ab initio}$ MD (AIMD) and empirical force field MD (EFFMD), face significant trade-offs between physical accuracy and computational efficiency. This work presents…

Accelerated molecular dynamics (MD) simulations are implemented to model the sliding process of AFM experiments at speeds close to those found in experiment. In this study the hyperdynamics method, originally devised to extend MD time…

This paper presents the Anisotropic selection scheme for cellular Genetic Algorithms (cGA). This new scheme allows to enhance diversity and to control the selective pressure which are two important issues in Genetic Algorithms, especially…

In this paper we consider the problem of decentralized (distributed) adaptive learning, where the aim of the network is to train the coefficients of a widely linear autoregressive moving average (ARMA) model by measurements collected by the…

Since performance improvements of computers are stagnating, new technologies and computer paradigms are hot research topics. Memristor-based In-Memory Computing is one of the promising candidates for the post-CMOS era, which comes in many…

This paper presents a novel approach to the description and understanding of two-dimensional binary cellular automata with the Moore neighborhood that preserve the number of active cells. Such dynamical systems are known to successfully…

Modification of coupled integral equations method (CIEM) for calculating the characteristics of the accelerating structures is presented in this paper. In earlier developed CIEM schemes the coupled integral equations are derived for the…

MiMiC is a framework for performing multiscale simulations in which loosely coupled external programs describe individual subsystems at different resolutions and levels of theory. To make it highly efficient and flexible, we adopt an…

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…