https://journals.ub.uni-heidelberg.de/index.php/emcl-pp/issue/feed 2024-07-18T14:05:00+02:00 Prof. Dr. Vincent Heuveline vincent.heuveline@uni-heidelberg.de Open Journal Systems <p>The Engineering Mathematics and Computing Lab (EMCL), directed by Prof. Dr. Vincent Heuveline, is a research group at the Interdisciplinary Center for Scientific Computing (IWR). The EMCL Preprint Series contains publications that were accepted for the Preprint Series of the EMCL.</p><p>Until April 30, 2013, it was published under the roof of the Karlsruhe Institute of Technology (KIT). As from May 01, 2013, it is published under the roof of Heidelberg University.</p> https://journals.ub.uni-heidelberg.de/index.php/emcl-pp/article/view/105756 2024-07-08T10:16:42+02:00 Jonas Roller jonas.roller@uni-heidelberg.de Valentin Schmid valentin.schmid@iwr.uni-heidelberg.de Philipp Gerstner philipp.gerstner@uni-heidelberg.de Jakob Niessner jakob.niessner@uni-heidelberg.de Vincent Heuveline vincent.heuveline@uni-heidelberg.de

<p>The Poisson-Boltzmann equation(PBE) is a fundamental equation for accurate description of electrostatics in ionic solutions or plasma. Hence, it finds application in a wide variety of fields including plasma physics, computational biology, colloidal and interface science and chemistry. In this preprint, we describe a first approach for solving it in a linearized setup using the CutFEM method in the software framework HiFlow3. The considered methods are easy to use, but not oriented towards extracting optimal computing time. Forthis purpose,the weak form of the linear PBE is first derived. Then, the CutFEM based numerical method is proposed. Finally, the most important code sections in HiFlow 3 are explained in more details. The electrostatic potential for ubiquitin and the adenovirus virion molecules are calculated and presented in a numerical example at the end of the paper.</p>

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