相关论文: From Quantity to Quality: Massive Molecular Dynami…

Accurate determination of electronic properties of correlated oxides remains a significant challenge for computational theory. Traditional Hubbard-corrected density functional theory (DFT+U) frequently encounters limitations in precisely…

Massive exploitation of next-generation sequencing technologies requires dealing with both: huge amounts of data and complex bioinformatics pipelines. Computing architectures have evolved to deal with these problems, enabling approaches…

Computational Grids are emerging as a popular paradigm for solving large-scale compute and data intensive problems in science, engineering, and commerce. However, application composition, resource management and scheduling in these…

Simulation is a fundamental research tool in the computer architecture field. These kinds of tools enable the exploration and evaluation of architectural proposals capturing the most relevant aspects of the highly complex systems under…

Real-Time availability of information is of most importance in large scale distributed interactive simulation in network-centric communication. Information generated from multiple federates must be distributed and made available to…

Continuum dislocation dynamics (CDD) represents the evolution of systems of curved and connected dislocation lines in terms of density-like field variables which include the volume density of loops (or 'curvature density') as an additional…

The Direct Simulation Monte Carlo (DSMC) method was widely used to simulate low density gas flows with large Knudsen numbers. However, DSMC encounters limitations in the regime of lower Knudsen numbers (Kn<0.1). In such cases, approaches…

The increasing energy demands and carbon footprint of large-scale AI require intelligent workload management in globally distributed data centers. Yet progress is limited by the absence of benchmarks that realistically capture the interplay…

Distributed shared memory (DSM) allows to implement and deploy applications onto distributed architectures using the convenient shared memory programming model in which a set of tasks are able to allocate and access data despite their…

Cyber-physical systems increasingly rely on distributed computing platforms where sensing, computing, actuation, and communication resources are shared by a multitude of applications. Such `cyber-physical cloud computing platforms' present…

Accurate and efficient plasma models are essential to understand and control experimental devices. Existing magnetohydrodynamic or kinetic models are nonlinear, computationally intensive, and can be difficult to interpret, while often only…

Quantum mechanics based ab-initio molecular dynamics (MD) simulation schemes offer an accurate and direct means to monitor the time-evolution of materials. Nevertheless, the expensive and repetitive energy and force computations required in…

Distributed deep neural networks (DNNs) have become central to modern computer vision, yet their deployment on resource-constrained edge devices remains hindered by substantial parameter counts, computational demands, and the probability of…

Efficient molecular dynamics (MD) simulation is vital for understanding atomic-scale processes in materials science and biophysics. Traditional density functional theory (DFT) methods are computationally expensive, which limits the…

Modeling realistic and interactive multi-agent behavior is critical to autonomous driving and traffic simulation. However, existing diffusion and autoregressive approaches are limited by iterative sampling, sequential decoding, or…

Cloud simulation environments today are largely employed to model and simulate complex systems for remote accessibility and variable capacity requirements. In this regard, scalability issues in Modeling and Simulation (M\&S) computational…

The effective deployment and application of advanced methodologies for quantum chemistry is inherently linked to the optimal usage of emerging and highly diversified computational resources. This paper examines the synergistic utilization…

Here we use large-scale molecular dynamics (MD) simulations of the high-rate deformation of nanocrystalline tantalum to investigate the processes associated with plastic deformation for strains up to 100%. We use initial atomic…

In this study, we use discrete dislocation dynamics (DDD) simulation to investigate the effect of heterogeneous dislocation density on the transition between quasi-elastic deformation and plastic flow in face-centered cubic single crystals.…

We present the results of large scale simulations of 4th order nonlinear partial differential equations of dif- fusion type that are typically encountered when modeling dynamics of thin fluid films on substrates. The simulations are based…