Contributions algorithmiques pour les simulations complexes en physique des matériaux

Olivier Coulaud 1, 2
Abstract : Because computer performance is always increasing, the numerical simulations of physical phenomena become much harder. Where does this complexity come from ? On the one hand, for a higher fidelity of the solution problem, more advanced physical models are introduced ; on the other hand, the size of the discretization is shrinking which leads to very large-scale numerical problems. In addition the computers themselves become more complex, for instance with hierar- chical memories and hierarchical process units. Hence the need to redesign algorithms, numerical schemes and software to make them more efficient and effective on emerging architectures. The work layout in this document is divided in two mainlines. First, the development and the parallel design of the fast multipole method to compute pair-wise interactions. Then the coupling of models/methods and codes in material physics at atomistic scale, and the computational steering of these simulations as well.
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Olivier Coulaud. Contributions algorithmiques pour les simulations complexes en physique des matériaux. Calcul parallèle, distribué et partagé [cs.DC]. Université de Bordeaux 1, 2013. ⟨tel-01356725⟩

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