Parallel Hybrid Simulations of Block Copolymer Nanocomposites using Coarray Fortran
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This paper presents the development of spectral element methods to simulate unsteady flows of viscoelastic fluids using a closed-form differential constitutive equation. The generation and decay Poiseuille planar flows are considered as benchmark problems ...
Dynamically allocating computing nodes to parallel applications is a promising technique for improving the utilization of cluster resources. Detailed simulations can help identify allocation strategies and problem decomposition parameters that increase the ...
A review. First-principles mol. dynamics (Car-Parrinello) simulations based on d. functional theory have emerged as a powerful tool for the study of phys., chem. and biol. systems. At present, using parallel computers, systems of a few hundreds of atoms ca ...
Dynamically allocating computing nodes to parallel applications is a promising technique for improving the utilization of cluster resources. We introduce the concept of dynamic efficiency which expresses the resource utilization efficiency as a function of ...
The NEURON simulation environment has been extended to support parallel network simulations. Each processor integrates the equations for its subnet over an interval equal to the minimum (interprocessor) presynaptic spike generation to postsynaptic spike de ...
Important advances in multi-scale computer simulation techniques for computational materials science have been made in the last decade as scientists and engineers strive to imbue continuum-based models with more-realistic details at quantum and atomistic s ...
A review. Since the first mol. dynamics simulations of hard spheres by Alder and Wainwright in the fifties of the last century (Alder, B.J. and Wainwright, T.E. (1957) Phase transition for a hard sphere system, J. Chem. Phys. 27, 1208-1209), this method ha ...
The use of a high-performance parallel computer system has been investigated to compute the incompressible flow and mixing efficiency of a static mixer. The flow computation is performed using a conventional Eulerian approach, by resolving the governing fl ...
A run-time visualization and solution-steering tool, TPview, has been developed to overcome difficulties commonly encountered with large-scale numerical simulations on high-performance parallel computer systems. TPview provides the interface between the pa ...
