Titlebook: High Performance Computing in Science and Engineering ‘19; Transactions of the Wolfgang E. Nagel,Dietmar H. Kröner,Michael M. Res Conferen

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Hadronic Contributions to the Anomalous Magnetic Moment of the Muon from Lattice QCDhe electromagnetic interaction, and the weak interaction. While the Standard Model is extremely successful, we know that it is not a complete description of nature. One way to search for physics beyond the Standard Model lies in the measurement of precision observables. The anomalous magnetic moment

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Characteristics of Surface Diffusion and Effective Pore Diffusion in Reversed-Phase Liquid Chromatogecular level. In reversed-phase liquid chromatography (RPLC), retained analyte molecules can diffuse faster in the interfacial region between a hydrophobic stationary phase and a water–acetonitrile (ACN) mobile phase. ACN accumulates on top of the hydrophobic, alkyl-modified stationary phase (a C.-

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Atomistic Dynamics of Alternating Access Mechanism of an ABC Transporterpled to large-scale conformational changes of the transmembrane domains (TMDs), which leads to the translocation of substrate molecules across biological membranes. The atomic details of the structural dynamics underlying the conformational transitions and the coupling of NBD and TMD motions remaine

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Dynamics and Solvent Effects in Functionalized DNA Sensing Nanogapsation using tiny diamond-like hydrogenated cages, the diamondoids. A derivative (known as memantine) of the smallest diamondoid is taken. This offers hydrogen bonding possibilities to DNA molecules. Accordingly, we place a small DNA unit, a nucleotide, within the functionalized nanogap. Based on qua

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KKRnano: Quantum Description of Skyrmions in Chiral B20 Magnetsntaining a large number of atoms. The code is based on a modified Korringa-Kohn-Rostoker (KKR) Green-function scheme and allows us to treat systems with up to thousands of atoms per unit cell. The capability of the code for the treatment of non-collinear alignments of atomic spins is used for the in

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