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Titlebook: High Performance Computing in Science and Engineering ‘22; Transactions of the Wolfgang E. Nagel,Dietmar H. Kröner,Michael M. Res Conferen

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Hyperpolarizabilities of LiNbO,, LiTaO, and KNbO, calculated from First Principlesnse. In this manuscript, we calculate their second and third order nonlinear susceptibilities from first principles. Two different approaches are employed, based on the perturbative estimate of the optical response in the frequency-domain, and on the time-evolution of the electric polarization, resp
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Advances in Computational Process Engineering using Lattice Boltzmann Methods on High Performance Corce software library OpenLB and performed on the HoreKa supercomputer. For this purpose, the parallel efficiency and total performance of test cases utilizing vectorization on CPUs as well as GPUs is evaluated for simulations up to 10 billion cells and node counts up to 320 CPU resp. 56 GPU nodes. S
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