Publications

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33 Publications visible to you, out of a total of 33

Abstract (Expand)

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.

Authors: Jonas Roller, Valentin Schmid, Philipp Gerstner, Jakob Nießner, Vincent Heuveline

Date Published: 18th Jul 2024

Publication Type: Journal

Abstract

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Authors: Pascal Memmesheimer, Stefan Machmeier, Vincent Heuveline

Date Published: 5th Jun 2024

Publication Type: Journal

Abstract

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Authors: David Hermann Lehmann, Bruna Gomes, Niklas Vetter, Olivia Braun, Ali Amr, Thomas Hilbel, Jens Müller, Ulrich Köthe, Christoph Reich, Elham Kayvanpour, Farbod Sedaghat-Hamedani, Manuela Meder, Jan Haas, Euan Ashley, Wolfgang Rottbauer, Dominik Felbel, Raffi Bekeredjian, Heiko Mahrholdt, Andreas Keller, Peter Ong, Andreas Seitz, Hauke Hund, Nicolas Geis, Florian André, Sandy Engelhardt, Hugo A Katus, Norbert Frey, Vincent Heuveline, Benjamin Meder

Date Published: 1st Jun 2024

Publication Type: Journal

Abstract

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Authors: Aksel Alpay, Vincent Heuveline

Date Published: 8th Apr 2024

Publication Type: Journal

Abstract

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Authors: Luigi Crisci, Lorenzo Carpentieri, Peter Thoman, Aksel Alpay, Vincent Heuveline, Biagio Cosenza

Date Published: 8th Apr 2024

Publication Type: Journal

Abstract

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Authors: Marco Schröder, Stefan Machmeier, Suyeon Maeng, Vincent Heuveline

Date Published: 1st Feb 2024

Publication Type: Journal

Abstract

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Authors: Andrei Sirazitdinov, Marcus Buchwald, Vincent Heuveline, Jürgen Hesser

Date Published: 2024

Publication Type: Journal

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