Publications

Juan Carlos del Valle, Pilar Redondo, Johannes Kästner, and Germán Molpeceres. Formation of the Interstellar Sugar Precursor, (Z)-1,2-Ethenediol, through Radical Reactions on Dust Grains. Astrophys. J., (974):129, 2024. [PUMA: EXC2075 PN3 PN3-4(II) selected] URL

Patrick M. Becker, Katja Heinze, Biprajit Sarkar, and Johannes Kästner. Redox−Acid/Base Phase Diagrams as an Entry to Computational Redox Chemistry. ChemElectroChem, (11)20:e202400301, 2024. [PUMA: EXC2075 PN3 PN3-4(II) selected] URL

R. Herkert, P. Buchfink, B. Haasdonk, J. Rettberg, and J. Fehr. Randomized Symplectic Model Order Reduction for Hamiltonian Systems. In Ivan Lirkov, and Svetozar Margenov (Eds.), Large-Scale Scientific Computations, 99--107, Springer Nature Switzerland, Cham, 2024. [PUMA: EXC2075 PN3 PN3A-8 PN5 PN5-7 PN6 PN6-1(II) misc]

Ángel D\'ıaz Carral, Magnus Ostertag, and Maria Fyta. Deep learning for nanopore ionic current blockades. The Journal of Chemical Physics, (154)4:044111, AIP Publishing, January 2021. [PUMA: EXC2075 PN3 PN3-7 selected] URL

Angel Diaz Carral, Chandra Shekar Sarap, Ke Liu, Aleksandra Radenovic, and Maria Fyta. 2D MoS2 nanopores: ionic current blockade height for clustering DNA events. 2D Materials, (6)4:045011, IOP Publishing, 2019. [PUMA: EXC2075 PN3 PN3-7 selected]

Johannes Rettberg, Dominik Wittwar, Patrick Buchfink, Robin Herkert, Jörg Fehr, and Bernard Haasdonk. Improved a posteriori error bounds for reduced port-Hamiltonian systems. Advances in Computational Mathematics, (50)5:100, Sep 11, 2024. [PUMA: EXC2075 PN3 PN3A-8 selected] URL

Louis Oberer, Angel Diaz Carral, and Maria Fyta. Simple Classification of RNA Sequences of Respiratory-Related Coronaviruses. ACS Omega, American Chemical Society (ACS), July 2021. [PUMA: EXC2075 PN3 PN3-7 selected] URL

Alexander Schlaich, Sandeep Tyagi, Stefan Kesselheim, Marcello Sega, and Christian Holm. Renormalized charge and dielectric effects in colloidal interactions: a numerical solution of the nonlinear Poisson--Boltzmann equation for unknown boundary conditions. The European Physical Journal E, (46)9:80, Sep 11, 2023. [PUMA: EXC2075 PN3 PN3-15 selected] URL

Robin Herkert, Patrick Buchfink, Bernard Haasdonk, Johannes Rettberg, and Jörg Fehr. Error Analysis of Randomized Symplectic Model Order Reduction for Hamiltonian systems. 2024. [PUMA: EXC2075 PN3 PN3A-8 PN5 PN5-7 PN6 PN6-1(II) misc] URL

A. Krischok, B. Yaraguntappa, and M.-A. Keip. Fast implicit update schemes for Cahn–Hilliard-type gradient flow in the context of Fourier-spectral methods. Computer Methods in Applied Mechanics and Engineering, (431):117220, 2024. [PUMA: EXC2075 PN3 PN3-5(II) selected] URL

Elten Polukhov, Laura Pytel, and Marc-André Keip. Swelling-induced pattern transformations of periodic hydrogels : from the wrinkling of internal surfaces to the buckling of thin films. Journal of the mechanics and physics of solids, (175)June:105250, Pergamon, 2023. [PUMA: EXC2075 PN3 PN3-5(II) selected]

Siddharth Sriram, Elten Polukhov, and Marc-André Keip. Data-driven analysis of structural instabilities in electroactive polymer bilayers based on a variational saddle-point principle. International Journal of Solids and Structures, (291):112663, Elsevier BV, April 2024. [PUMA: EXC2075 PN3 PN3-5(II) selected] URL

Linda Werneck, Erdost Yildiz, Mertcan Han, Marc-Andre Keip, Metin Sitti, and Michael Ortiz. Ion Flow Through Neural Ion Membrane: scripts and data. 2023. [PUMA: EXC2075 PN3 PN3-5(II) unclear]

Linda Werneck, Mertcan Han, Erdost Yildiz, Marc-André Keip, Metin Sitti, and Michael Ortiz. A simple quantitative model of neuromodulation, Part I : Ion flow neural ion channels. Journal of the mechanics and physics of solids, (182)January:105457, Elsevier, 2024. [PUMA: EXC2075 PN3 PN3-5(II) selected]

Mauricio Fernández, and Felix Fritzen. On the generation of periodic discrete structures with identical two-point correlation. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, (476)2242:20200568, 2020. [PUMA: EXC2075 PN3 selected]

Mauricio Fernández, Felix Fritzen, and Oliver Weeger. Material modeling for parametric, anisotropic finite strain hyperelasticity based on machine learning with application in optimization of metamaterials. International Journal for Numerical Methods in Engineering, (123)2:577-609, 2022. [PUMA: EXC2075 PN3 selected] URL

A. Kanan, Elten Polukhov, Marc-André Keip, L. Dorfmann, and M. Kaliske. Computational material stability analysis in finite thermo-electro-mechanics. Mechanics research communications, (121)April:103867, Elsevier, 2022. [PUMA: EXC2075 PN3 PN3-5(II) selected]

Mauricio Fernández, Shahed Rezaei, Jaber Rezaei Mianroodi, Felix Fritzen, and Stefanie Reese. Application of artificial neural networks for the prediction of interface mechanics: a study on grain boundary constitutive behavior. Advanced Modeling and Simulation in Engineering Sciences, (7)1:27, Springer Science and Business Media LLC, January 2020. [PUMA: EXC2075 PN3 PN3-1(II) selected] URL

Maximilian Fleck, Wassja A. Kopp, Narasimhan Viswanathan, Niels Hansen, Joachim Gross, and Kai Leonhard. Efficient Generation of Torsional Energy Profiles by Multifidelity Gaussian Processes for Hindered Rotor Corrections. Journal of Chemical Theory and Computation, (20)17:7574–7585, American Chemical Society (ACS), August 2024. [PUMA: EXC2075 PN3 PN3-8 PN3-8(II) selected] URL

Oliver Kunc, and Felix Fritzen. Many-scale finite strain computational homogenization via Concentric Interpolation. International Journal for Numerical Methods in Engineering, (121)21:4689--4716, 2020. [PUMA: EXC2075 PN3 selected]