Dynamics of Complex Continua

Data-Proximal Complementary ℓ1-TV Reconstruction for Limited Data Computed Tomography

Author(s): Simon Göppel, Jürgen Frikel, Markus Haltmeier
Published in: Mathematics, Issue 12, 2024, Page(s) 1606, ISSN 2227-7390
Publisher: MDPI
DOI: 10.3390/math12101606

Evolution of the Immunoglobulin Isotypes—Variations of Biophysical Properties among Animal Classes

Author(s): Nancy D. Pomarici; Roberta Cacciato; Janik Kokot; Monica L. Fernández-Quintero; Klaus R. Liedl
Published in: Biomolecules, Issue 13 (5), 2023, Page(s) 801, ISSN 2218-273X
Publisher: MDPI AG 2011
DOI: 10.3390/biom13050801

Semi-Lagrangian 4d, 5d, and 6d kinetic plasma simulation on large-scale GPU-equipped supercomputers

Author(s): Lukas Einkemmer; Alexander Moriggl
Published in: The International Journal of High Performance Computing Applications, Issue 37 (2), 2022, Page(s) 180-196, ISSN 1741-2846
Publisher: Sage Publishing
DOI: 10.1177/10943420221137599

On the Subparsec-scale Core Composition of FR 0 Radio Galaxies

Author(s): Margot Boughelilba; Anita Reimer
Published in: The Astrophysical Journal Letters, Issue 955 (2), 2023, Page(s) L41, ISSN 2041-8213
Publisher: IOP Publishing
DOI: 10.3847/2041-8213/acf83c

Feature Reconstruction from Incomplete Tomographic Data without Detour

Author(s): Simon Göppel; Jürgen Frikel; Markus Haltmeier
Published in: Mathematics, Issue 10 (8), 2022, Page(s) 1318, ISSN 2227-7390
Publisher: MDPI
DOI: 10.3390/math10081318

Modelling the impact of argon atoms on a tungsten surface

Author(s): Shokirbek Shermukhamedov; Michael Probst
Published in: The European Physical Journal D, Issue 76 (169), 2022, Page(s) 9, ISSN 1434-6079
Publisher: EDP Sciences, Società Italiana di Fisica and Springer
DOI: 10.1140/epjd/s10053-022-00495-3

An accurate and time-parallel rational exponential integrator for hyperbolic and oscillatory PDEs

Author(s): Marco Caliari, Lukas Einkemmer, Alexander Moriggl, Alexander Ostermann
Published in: Journal of Computational Physics, Issue 437, 2021, Page(s) 110289, ISSN 0021-9991
Publisher: Academic Press
DOI: 10.1016/j.jcp.2021.110289

A Semi-Lagrangian Discontinuous Galerkin Method for Drift-Kinetic Simulations on GPUs

Author(s): Lukas Einkemmer; Alexander Moriggl
Published in: SIAM journal on Scientific Computing, Issue 46 (2), 2024, Page(s) 33-55, ISSN 0885-7474
Publisher: Kluwer Academic/Plenum Publishers
DOI: 10.1137/23m1559658

Nonlinear mechanical model of a fluid inerter

Author(s): Miriam Chillemi; Thomas Furtmüller; Christoph Adam; Antonina Pirrotta
Published in: Mechanical Systems and Signal Processing, Issue 188, 2023, Page(s) 109986, ISSN 0888-3270
Publisher: Academic Press
DOI: 10.1016/j.ymssp.2022.109986

Sputtering from rough tungsten surfaces: Data-driven molecular dynamics simulations

Author(s): Shokirbek Shermukhamedov; Michael Probst
Published in: Physics of Plasmas, Issue 30 (12), 2023, Page(s) 123901, ISSN 1070-664X
Publisher: American Institute of Physics
DOI: 10.1063/5.0167840

Lagrangian solver for coupling hydrodynamics with biokinetic conversionmodelling in anaerobic digesters

Author(s): Yan, Jeremy Z.; Prashant Kumar; Nikolaus Rauch; Soroush Dabiri; Wolfgang Rauch
Published in: Water Research, Issue 252, 2021, Page(s) 121211, ISSN 0043-1354
Publisher: Elsevier BV
DOI: 10.1016/j.watres.2024.121211

Bispecific antibodies—effects of point mutations on CH3-CH3 interface stability

Author(s): Nancy D Pomarici; Monica L Fernández-Quintero; Patrick K Quoika; Franz Waibl; Alexander Bujotzek; Guy Georges; Klaus R Liedl
Published in: Protein Engineering, Design and Selection, Issue 35, 2022, ISSN 1741-0126
Publisher: Oxford University Press
DOI: 10.1093/protein/gzac012

Corrigendum: Comparing Antibody Interfaces to Inform Rational Design of New Antibody Formats

Author(s): Monica L. Fernández-Quintero; Patrick K. Quoika; Florian S. Wedl; Clarissa A. Seidler; Katharina B. Kroell; Johannes R. Loeffler; Nancy D. Pomarici; Valentin J. Hoerschinger; Alexander Bujotzek; Guy Georges; Hubert Kettenberger; Klaus R. Liedl
Published in: Frontiers in Molecular Biosciences, Issue 9, 2022, ISSN 2296-889X
Publisher: Frontiers Media S.A.
DOI: 10.3389/fmolb.2022.864654

Electronic transitions in Rb2+ dimers solvated in helium

Author(s): Simon Albertini, Paul Martini, Arne Schiller, Harald Schöbel, Elham Ghavidel, Milan Ončák, Olof Echt, Paul Scheier
Published in: Theoretical Chemistry Accounts, Issue 140/3, 2021, ISSN 1432-881X
Publisher: Springer Verlag
DOI: 10.1007/s00214-021-02728-x

Lepto-hadronic Jet-disk Model for the Multiwavelength SED of M87

Author(s): Margot Boughelilba; Anita Reimer; Lukas Merten
Published in: The Astrophysical Journal, Issue 1, 2022, Page(s) 79, ISSN 1538-4357
Publisher: IOP Publishing
DOI: 10.3847/1538-4357/ac8e64

Learning how to find targets in the micro-world: the case of intermittent active Brownian particles

Author(s): Michele Caraglio; Harpreet Kaur; Lukas J. Fiderer; Andrea López-Incera; Hans J. Briegel; Thomas Franosch; Gorka Muñoz-Gil
Published in: Soft Matter, Issue 20 (9), 2024, Page(s) 2008-2016, ISSN 1744-6848
Publisher: Royal Society of Chemistry (RSC)
DOI: 10.1039/d3sm01680c

Block preconditioning strategies for generalized continuum models with micropolar and nonlocal damage formulations

Author(s): Nasser Alkmim; Peter Gamnitzer; Matthias Neuner; Günter Hofstetter
Published in: Numerical and Analytical Methods in Geomechanics, Issue 48 (7), 2024, Page(s) 1879-1906, ISSN 0363-9061
Publisher: John Wiley & Sons Inc.
DOI: 10.1002/nag.3707

Fluid inerter-based vibration control of multi-modal structures subjected to vertical vibration

Author(s): Miriam Chillemi, Thomas Furtmüller, Christoph Adam, Antonina Pirrotta
Published in: Engineering Structures, Issue Volume 307, 2024, Page(s) 117938, ISSN 0141-0296
Publisher: Pergamon Press Ltd.
DOI: 10.1016/j.engstruct.2024.117938

Scrutinizing FR 0 radio galaxies as ultra-high-energy cosmic ray source candidates

Author(s): Lukas Merten, Margot Boughelilba, Anita Reimer, Paolo Da Vela, Serguei Vorobiov, Fabrizio Tavecchio, Giacomo Bonnoli, Jon Paul Lundquist, Chiara Righi
Published in: Astroparticle Physics, Issue 128, 2021, Page(s) 102564, ISSN 0927-6505
Publisher: Elsevier BV
DOI: 10.1016/j.astropartphys.2021.102564

Structure and Dynamics Guiding Design of Antibody Therapeutics and Vaccines

Author(s): Monica L. Fernández-Quintero; Nancy D. Pomarici; Anna-Lena M. Fischer; Valentin J. Hoerschinger; Katharina B. Kroell; Jakob R. Riccabona; Anna S. Kamenik; Johannes R. Loeffler; James A. Ferguson; Hailee R. Perrett; Klaus R. Liedl; Julianna Han; Andrew B. Ward
Published in: Antibodies, Issue 12 (4), 2023, Page(s) p 67, ISSN 2073-4468
Publisher: MDPI
DOI: 10.3390/antib12040067

Adaptive active Brownian particles searching for targets of unknown positions

Author(s): Harpreet Kaur; Thomas Franosch; Michele Caraglio
Published in: Machine Learning: Science and Technology, Issue 4 (3), 2023, Page(s) 035008, ISSN 2632-2153
Publisher: IOP Publishing Ltd
DOI: 10.1088/2632-2153/ace6f4

Experimental and numerical investigation of a fluid inerter for structural control

Author(s): Miriam Chillemi; Thomas Furtmüller; Christoph Adam; Antonina Pirrotta
Published in: Journal of Sound and Vibration, Issue 573, 2024, Page(s) 118222, ISSN 0022-460X
Publisher: Academic Press
DOI: 10.1016/j.jsv.2023.118222

Effect of turbulent diffusion in modeling anaerobic digestion

Author(s): Jeremy Z. Yan; Prashant Kumar; Wolfgang Rauch
Published in: Bioresource Technology, Issue 393, 2024, ISSN 0960-8524
Publisher: Elsevier BV
DOI: 10.1016/j.biortech.2023.130068

Modelling the sputtering and reflection from a beryllium surface: atomistic analysis

Author(s): Shokirbek Shermukhamedov, Lei Chen, Renat Nazmutdinov, Alexander Kaiser, Michael Probst
Published in: Nuclear Fusion, Issue 61/8, 2021, Page(s) 086013, ISSN 0029-5515
Publisher: Institute of Physics Publishing
DOI: 10.1088/1741-4326/ac044e

Confinement Effect on Heterogeneous Electron Transfer in Aqueous Solutions inside Conducting Nanotubes

Author(s): Shokirbek A. Shermukhamedov, Renat R. Nazmutdinov, Michael D. Bronshtein, Michael Probst
Published in: ChemElectroChem, Issue 8/3, 2021, Page(s) 563-569, ISSN 2196-0216
Publisher: Wiley-VCH
DOI: 10.1002/celc.202001569

Sputtering and reflection from a beryllium surface: effects of hydrogen isotope mass, impact position and surface binding energy

Author(s): S. Shermukhamedov; L. Chen; Renat Nazmutdinov; Michael Probst
Published in: Nuclear Fusion, Issue 62 (6), 2022, Page(s) 066024, ISSN 0029-5515
Publisher: Institute of Physics Publishing
DOI: 10.1088/1741-4326/ac592a

Sputtering of the beryllium tungsten alloy Be 2 W by deuterium atoms: molecular dynamics simulations using machine learned forces

Author(s): L. Chen, A. Kaiser, M. Probst, S. Shermukhamedov
Published in: Nuclear Fusion, Issue 61/1, 2021, Page(s) 016031, ISSN 0029-5515
Publisher: Institute of Physics Publishing
DOI: 10.1088/1741-4326/abc9f4

Translation invariant diagonal frame decomposition of inverse problems and their regularization

Author(s): Simon Göppel; Jürgen Frikel; Markus Haltmeier
Published in: Inverse Problems, Issue 39 (6), 2023, Page(s) 065011, ISSN 1361-6420
Publisher: IOP Publishing
DOI: 10.1088/1361-6420/accd15

Introducing CHAD -- An ADM1 Solver for Direct Linking to Lagrangian CFD Software

Author(s): Kumar, Prashant; Yan, Zhenghao; Dabiri, Soroush; Rauch, Nikolaus; Rauch, Wolfgang
Published in: 2nd International Joint Conference on Water Distribution Systems Analysis & Computing and Control in the Water Industry, 2023, ISSN 2331-8422
Publisher: Cornell University
DOI: 10.48550/arxiv.2311.08927

Low-luminosity jetted AGN as particle multi-messenger sources

Author(s): A. Reimer*, M. Boughelilba, L. Merten and P. Da Vela
Published in: XVIII International Conference on Topics in Astroparticle and Underground Physics (TAUP2023) - High-Energy Astrophysics and Cosmic Rays, Issue 441, TAUP2023, 2024, Page(s) 119, ISSN 1824-8039
Publisher: PoS, Sissa Medialab
DOI: 10.22323/1.441.0119

Spine-sheath jet model for low-luminosity AGNs

Author(s): Boughelilba, Margot; Reimer, Anita; Merten, Lukas; Lundquist, Jon-Paul
Published in: Proceeding of 38th International Cosmic Ray Conference (ICRC2023), Issue 958, 2023, ISSN 1824-8039
Publisher: Sissa Medialab
DOI: 10.22323/1.444.0958

FR-0 jetted active galaxies: extending the zoo of candidate sites for UHECR acceleration

Author(s): Merten, Lukas; Boughelilba, Margot; Reimer, Anita; Da Vela, Paolo; Vorobiov, Serguei; Tavecchio, Fabrizio; Bonnoli, Giacomo; Lundquist, Jon Paul; Righi, Chiara
Published in: Proceedings of 37th International Cosmic Ray Conference (ICRC2021), Issue 395, 2021, Page(s) 986, ISSN 1824-8039
Publisher: Sissa Medialab
DOI: 10.22323/1.395.0986

Extrapolating FR-0 radio galaxy source properties from the propagation of multi-messenger ultra-high-energy cosmic rays

Author(s): Jon Paul Lundquist; Lukas Merten; Serguei Vorobiov; Margot Boughelilba; A. Reimer; Paolo Da-Vela; Fabrizio Tavecchio; Giacomo Bonnoli; Chiara Righi
Published in: Proceedings of 37th International Cosmic Ray Conference (ICRC2021), Issue 395, 2022, Page(s) 989, ISSN 1824-8039
Publisher: Sissa Medialab
DOI: 10.22323/1.395.0989

Combining Reconstruction and Edge Detection in Computed Tomography

Author(s): Frikel, Jürgen; Göppel, Simon; Haltmeier, Markus
Published in: Bildverarbeitung für die Medizin 2021: Proceedings, German Workshop on Medical Image Computing, 2021, Page(s) 153-157, ISBN 978-3-658-33197-9
Publisher: Springer Fachmedien
DOI: 10.1007/978-3-658-33198-6_37

Translation invariant diagonal frame decomposition for the Radon transform

Author(s): Göppel, Simon; Haltmeier, Markus; Frikel, Jürgen
Published in: 2023 International Conference on Sampling Theory and Applications (SampTA), 2023, Page(s) 1-5, ISBN 979-8-3503-2885-1
Publisher: IEEE
DOI: 10.1109/sampta59647.2023.10301412

CR-ENTREES -- Cosmic-Ray ENergy TRansport in timE-Evolving astrophysical Settings

Author(s): Reimer, Anita; Merten, Lukas; Boughelilba, Margot; Da Vela, Paolo; Vorobiov, Serguei; Lundquist, Jon Paul
Published in: Proceedings of 38th International Cosmic Ray Conference, PoS (ICRC2023), Issue 444, 2023, Page(s) 1466, ISSN 1824-8039
Publisher: Sissa Medialab
DOI: 10.22323/1.444.1481

Neural Network Based Molecular Dynamics Simulations of Sputtering Processes

Author(s): Shokirbek Shermukhamedov; Michael Probst; Lei Chen
Published in: IEEE 17th International Conference on eScience, 2021, Page(s) 241-242, ISBN 978-1-6654-4708-9
Publisher: IEEE conference eXpress Publishing
DOI: 10.1109/escience51609.2021.00041

Efficient Modeling of Heavy Cosmic Rays Propagation in Evolving Astrophysical Environments

Author(s): Merten, Lukas; Da Vela, Paolo; Reimer, Anita; Boughelilba, Margot; Lundquist, Jon Paul; Vorobiov, Serguei; Tjus, Julia Becker
Published in: Proceedings of 38th International Cosmic Ray Conference (ICRC2023), Issue 444, 2023, Page(s) 1466, ISSN 1824-8039
Publisher: Sissa Medialab
DOI: 10.22323/1.444.1466

The UHECR-FR0 Radio Galaxy Connection: A Multi-Messenger Study of Energy Spectra/Composition Emission and Extragalactic Magnetic Field Propagation

Author(s): Lundquist, J. P.; Merten, L.; Vorobiov, S.; Boughelilba, M.; Reimer, A.; Da Vela, P.; Tavecchio, F.; Bonnoli, G.; Righi, C.
Published in: 38th International Cosmic Ray Conference (ICRC2023) - Multi Messenger and Gravitational Wave (MM&GW), Issue 444, 2023, Page(s) 1512, ISSN 2331-8422
Publisher: Cornell University
DOI: 10.22323/1.444.1512

LeXInt: GPU-accelerated Exponential Integrators package

Author(s): Deka, Pranab J.; Moriggl, Alexander; Einkemmer, Lukas
Published in: arXiv preprint, 2023, ISSN 2331-8422
Publisher: Cornell University
DOI: 10.48550/arxiv.2310.08344

Data-proximal null-space networks for inverse problems

Author(s): Göppel, Simon; Frikel, Jürgen; Haltmeier, Markus
Published in: arXiv preprint, 2023, ISSN 2331-8422
Publisher: Cornell University
DOI: 10.48550/arxiv.2309.06573

Characterizing the γ-ray Emission from FR0 Radio Galaxies

Author(s): Nikita S. Khatiya, Margot Boughelilba, Christopher M. Karwin, Alex McDaniel, Xiurui Zhao, Marco Ajello, Anita Reimer, and Dieter H. Hartmann
Published in: arXiv preprint, 2023, ISSN 2331-8422
Publisher: Conell University
DOI: 10.48550/arxiv.2310.19888

Learning high-dimensional reaction coordinates of fast-folding proteins using State Predictive information bottleneck and Bias Exchange Metadynamics

Author(s): Nancy D. Pomarici, Shams Mehdi, Patrick K. Quoika, Suemin Lee, Johannes R. Loeffler, Klaus R. Liedl, Pratyush Tiwary, Monica L. Fernández-Quintero
Published in: bioRxiv, 2024, Page(s) 2023.07.24.550401, ISSN 2692-8205
Publisher: Cold Spring Harbor Laboratory
DOI: 10.1101/2023.07.24.550401

Uncertainty-Aware Null Space Networks for Data-Consistent Image Reconstruction

Author(s): Angermann, Christoph; Göppel, Simon; Haltmeier, Markus
Published in: arXiv preprint, 2023, ISSN 2331-8422
Publisher: Cornell University
DOI: 10.48550/arxiv.2304.06955

Structure to Property: Chemical Element Embeddings and a Deep Learning Approach for Accurate Prediction of Chemical Properties

Author(s): Shermukhamedov, Shokirbek; Mamurjonova, Dilorom; Probst, Michael
Published in: arXiv preprint, 2023, ISSN 2331-8422
Publisher: Cornell University
DOI: 10.48550/arxiv.2309.09355

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