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Saad A. Alowayyed,Maxime Vassaux,Ben Czaja,Peter V. Coveney,Alfons G. Hoekstra
Pág. 20 - 43
New applications that can exploit emerging exascale computing resources efficiently, while providing meaningful scientific results, are eagerly anticipated. Multi-scale models, especially multi-scale applications, will assuredly run at the exascale. We h...
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Manuel Valera, Mary P. Thomas, Mariangel Garcia and Jose E. Castillo
The General Curvilinear Coastal Ocean Model (GCCOM) is a 3D curvilinear, structured-mesh, non-hydrostatic, large-eddy simulation model that is capable of running oceanic simulations. GCCOM is an inherently computationally expensive model: it uses an elli...
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Pavel V. Komarov,Daria V. Guseva,Vladimir Yu. Rudyak,Alexander V. Chertovich
Pág. 55 - 59
Atomistic molecular dynamics simulations can usually cover only a very limited range in space and time. Thus, the materials like polymer resin networks, the properties of which are formed on macroscopic scale, are hard to study thoroughly using only mole...
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Rudolf Podgornik, Julija Zavadlav and Matej Praprotnik
Densely packed DNA arrays exhibit hexagonal and orthorhombic local packings, as well as a weakly first order transition between them. While we have some understanding of the interactions between DNA molecules in aqueous ionic solutions, the structural de...
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Animesh Agarwal, Brooks D. Rabideau and Ahmed E. Ismail
We present a hierarchical coarse-graining framework for modeling semidilute polymer solutions, based on the wavelet-accelerated Monte Carlo (WAMC) method. This framework forms a hierarchy of resolutions to model polymers at length scales that cannot be r...
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