Scientific Computing and Algorithms in Industrial Simulations

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Scientific Computing and Algorithms in Industrial Simulations - 最新文献

Calculation of Chemical Equilibria in Multi-Phase: Multicomponent Systems

Pub Date : 2017-07-19 DOI: 10.1007/978-3-319-62458-7_1 M. Hülsmann, B. Klaassen, A. Krämer, Ottmar Krämer-Fuhrmann, Tosawi Pangalela, D. Reith, K. Hack, J. Linden

Molecular Dynamics Simulation of Membrane Free Energy Profiles Using Accurate Force Field for Ionic Liquids

Pub Date : 2017-07-19 DOI: 10.1007/978-3-319-62458-7_14 T. Köddermann, M. Schenk, M. Hülsmann, A. Krämer, K. Kirschner, D. Reith

LC-GAP: Localized Coulomb Descriptors for the Gaussian Approximation Potential

Pub Date : 2016-11-16 DOI: 10.1007/978-3-319-62458-7_2 James Barker, J. Bulin, J. Hamaekers, Sonja Mathias

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