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Publikationen aus Forschung mithilfe des HPC-Dienstes

Publikationen aus Projekten unterschiedlichster Fachbereichen die mithilfe des CHEOPS Clusters oder Unterstützung der RRZK HPC-Gruppe entstanden sind:

2022

Mohammad Hussainy, Sigrun I. Korsching, Achim Tresch
Pseudotime analysis reveals novel regulatory factors for multigenic onset and monogenic transition of odorant receptor expression
Sci Rep, Volume 12, Number 1, Sep 2022
DOI: 10.1038/s41598-022-20106-w

S. Cervantes, J. Saur
Constraining Europa's Subsolar Atmosphere With a Joint Analysis of HST Spectral Images and Galileo Magnetic Field Data
JGR Space Physics, Volume 127, Number 9, Sep 2022
DOI: 10.1029/2022ja030472

Alina Meeser, Christoph Bartenhagen, Lisa Werr, Anna-Maria Hellmann, Yvonne Kahlert, Nadine Hemstedt, Peter Nürnberg, Janine Altmüller, Sandra Ackermann, Barbara Hero, Thorsten Simon, Martin Peifer, Matthias Fischer, Carolina Rosswog
Reliable assessment of telomere maintenance mechanisms in neuroblastoma
Cell Bioscience, Volume 12, Number 1, Sep 2022
DOI: 10.1186/s13578-022-00896-2

Carolin Selenz, Anik Compes, Marieke Nill, Sven Borchmann, Margarete Odenthal, Alexandra Florin, Johannes Brägelmann, Reinhard Büttner, Lydia Meder, Roland T. Ullrich
EGFR Inhibition Strongly Modulates the Tumour Immune Microenvironment in EGFR-Driven Non-Small-Cell Lung Cancer
Cancers, Volume 14, Number 16, Pages 3943, Aug 2022
DOI: 10.3390/cancers14163943

Michael Weis, Stefanie Walch, Daniel Seifried, Shashwata Ganguly
The Virial Balance of Molecular Clumps and Cores in Colliding Magnetized Flows
arXiv e-print, Aug 2022
arXiv: 2208.11705v1

Joshua Heck, Fabian Metz, Sören Buchenau, Melissa Teubner, Benjamin Grimm-Lebsanft, Thomas P. Spaniol, Alexander Hoffmann, Michael A. Rübhausen, Sonja Herres-Pawlis
Manipulating electron transfer -- the influence of substituents on novel copper guanidine quinolinyl complexes
Chem. Sci., Volume 13, Number 28, Pages 8274--8288, Jul 2022
DOI: 10.1039/d2sc02910c

Carolina Nunes, Lisa Depestel, Liselot Mus, Kaylee M. Keller, Louis Delhaye, Amber Louwagie, Muhammad Rishfi, Alex Whale, Neesha Kara, Simon R. Andrews, Filemon Dela Cruz, Daoqi You, Armaan Siddiquee, Camila Takeno Cologna, Sam De Craemer, Emmy Dolman, Christoph Bartenhagen, Fanny De Vloed, Ellen Sanders, Aline Eggermont, Sarah-Lee Bekaert, Wouter Van Loocke, Jan Willem Bek, Givani Dewyn, Siebe Loontiens, Gert Van Isterdael, Bieke Decaesteker, Laurentijn Tilleman, Filip Van Nieuwerburgh, Vanessa Vermeirssen, Christophe Van Neste, Bart Ghesquiere, Steven Goossens, Sven Eyckerman, Katleen De Preter, Matthias Fischer, Jon Houseley, Jan Molenaar, Bram De Wilde, Stephen S. Roberts, Kaat Durinck, Frank Speleman
RRM2 enhances MYCN-driven neuroblastoma formation and acts as a synergistic target with CHK1 inhibition
Sci. Adv., Volume 8, Number 28, Jul 2022
DOI: 10.1126/sciadv.abn1382

Marc K. Ritter, Dominik Kiese, Tobias Müller, Fabian B. Kugler, Ronny Thomale, Simon Trebst, Jan von Delft
Benchmark calculations of multiloop pseudofermion {fRG}
Eur. Phys. J. B, Volume 95, Number 7, Jul 2022
DOI: 10.1140/epjb/s10051-022-00349-2

Henric Steffenfauseweh, Yury V. Vishnevskiy, Beate Neumann, Hans-Georg Stammler, Diego M. Andrada, Rajendra S. Ghadwal
Isolation of an Arsenic Diradicaloid with a Cyclic C $\less$sub$\greater$2$\less$/sub$\greater$ As $\less$sub$\greater$2$\less$/sub$\greater$ -Core
Angew Chem Int Ed, Volume 61, Number 34, Jul 2022
DOI: 10.1002/anie.202207415

Alina Hermann, Tabea Becker, Martin A. Schäfer, Alexander Hoffmann, Sonja Herres-Pawlis
Effective Ligand Design: Zinc Complexes with Guanidine Hydroquinoline Ligands for Fast Lactide Polymerization and Chemical Recycling
ChemSusChem, Volume 15, Number 18, Jul 2022
DOI: 10.1002/cssc.202201075

Krishanu Roychowdhury, Jan Attig, Simon Trebst, Michael J. Lawler
Supersymmetry on the lattice: Geometry, Topology, and Spin Liquids
arXiv e-print, Jul 2022
arXiv: 2207.09475v1

S. Ebagezio, D. Seifried, S. Walch, P. C. Nürnberger, T. E. Rathjen, T. Naab
CO and [CII] line emission of molecular clouds -- the impact of stellar feedback and non-equilibrium chemistry
arXiv e-print, Jun 2022
arXiv: 2206.06393v2

Marvin Borsch, Alexander Mayer, Dominik Wied
Consistent Estimation of Multiple Breakpoints in Dependence Measures
arXiv e-print, Jun 2022
arXiv: 2206.04722v1

Dominik Kiese, Tobias Müller, Yasir Iqbal, Ronny Thomale, Simon Trebst
Multiloop functional renormalization group approach to quantum spin systems
Phys. Rev. Research, Volume 4, Number 2, Jun 2022
DOI: 10.1103/physrevresearch.4.023185

Brandt A. L. Gaches, Shmuel Bialy, Thomas G. Bisbas, Marco Padovani, Daniel Seifried, Stefanie Walch
Cosmic-ray-induced H$_2$ line emission: Astrochemical modeling and implications for JWST observations
arXiv e-print, Jun 2022
DOI: 10.1051/0004-6361/202244090

Christoph Berke, Evangelos Varvelis, Simon Trebst, Alexander Altland, David P. DiVincenzo
Transmon platform for quantum computing challenged by chaotic fluctuations
Nat Commun, Volume 13, Number 1, May 2022
DOI: 10.1038/s41467-022-29940-y

Vasyl Golosnoy, Bastian Gribisch
Modeling and forecasting realized portfolio weights
Journal of Banking and Finance, Volume 138, Pages 106404, May 2022
DOI: 10.1016/j.jbankfin.2022.106404

David Sundelin, Aravindh N. Marimuthu, Sven Thorwirth, Sandra Brünken, Wolf D. Geppert
Spectroscopic characterisation of the isomeric H2NCH$\mathplus$ and H2CNH$\mathplus$ radical cations
Journal of Molecular Spectroscopy, Volume 387, Pages 111640, May 2022
DOI: 10.1016/j.jms.2022.111640

Lukas Raßpe-Lange, Alexander Hoffmann, Christoph Gertig, Joshua Heck, Kai Leonhard, Sonja Herres-Pawlis
Geometrical benchmarking and analysis of redox potentials of copper(I/II) guanidine-quinoline complexes: Comparison of semi-empirical tight-binding and DFT methods and the challenge of describing the entatic state (part III)
J Comput Chem, May 2022
DOI: 10.1002/jcc.26927

Arne Merschel, Yury V. Vishnevskiy, Beate Neumann, Hans-Georg Stammler, Rajendra S. Ghadwal
Crystalline phosphino-functionalized mesoionic olefins (p-{MIOs})
Dalton Trans., Volume 51, Number 21, Pages 8217--8222, May 2022
DOI: 10.1039/d2dt01314b

Jan Grossbach, Ludovic Gillet, Mathieu Clément-Ziza, Corinna L Schmalohr, Olga T Schubert, Maximilian Schütter, Julia S P Mawer, Christopher A Barnes, Isabell Bludau, Matthias Weith, Peter Tessarz, Martin Graef, Ruedi Aebersold, Andreas Beyer
The impact of genomic variation on protein phosphorylation states and regulatory networks
Molecular Systems Biology, Volume 18, Number 5, May 2022
DOI: 10.15252/msb.202110712

Alexander Heinlein, Axel Klawonn, Jascha Knepper, Oliver Rheinbach, Olof B. Widlund
Adaptive GDSW Coarse Spaces of Reduced Dimension for Overlapping Schwarz Methods
SIAM J. Sci. Comput., Volume 44, Number 3, Pages A1176--A1204, May 2022
DOI: 10.1137/20m1364540

Sven Thorwirth, Oskar Asvany, Michael E. Harding, Pavol Jusko, Michael C. McCarthy, Sandra Brünken, Stephan Schlemmer
Infrared action spectroscopy of fundamental nitrilium ions: Protonated vinyl- and ethyl cyanide
Journal of Molecular Spectroscopy, Volume 386, Pages 111615, Apr 2022
DOI: 10.1016/j.jms.2022.111615

Natalia Tiessen, Mira Keßler, Beate Neumann, Hans-Georg Stammler, Berthold Hoge
Frontispiz: Oxidative Addition von C−F-Bindungen an das Silanid-Anion [Si(C2F5)3]−
Angewandte Chemie, Volume 134, Number 17, Apr 2022
DOI: 10.1002/ange.202281761

S. Ganguly, S. Walch, S. D. Clarke, D. Seifried
SILCC-Zoom: the dynamic balance in molecular cloud substructures
arXiv e-print, Apr 2022
arXiv: 2204.02511v1

A. Klepitko, S. Walch, R. Wünsch, D. Seifried, F. Dinnbier, S. Haid
Tree-based solvers for adaptive mesh refinement code FLASH -- III: a novel scheme for radiation pressure on dust and gas and radiative transfer from diffuse sources
arXiv e-print, Apr 2022
arXiv: 2204.09072v1

Sven Otto, Jörg Breitung
BACKWARD CUSUM FOR TESTING AND MONITORING STRUCTURAL CHANGE WITH AN APPLICATION TO COVID-19 PANDEMIC DATA
Econom. Theory, Pages 1--34, Apr 2022
DOI: 10.1017/s0266466622000159

Falk Ebeler, Yury V. Vishnevskiy, Beate Neumann, Hans-Georg Stammler, Rajendra S. Ghadwal
Mesoionic Dithiolates ({MIDts}) Derived from 1,3-Imidazole-Based Anionic Dicarbenes ({ADCs})
Chemistry A European Journal, Volume 28, Number 31, Apr 2022
DOI: 10.1002/chem.202200739

Hediye Yarahmadi, Abbas Ali Saberi
A 2D Lévy-flight model for the complex dynamics of real-life financial markets
Chaos, Volume 32, Number 3, Pages 033113, Mar 2022
DOI: 10.1063/5.0082926

Bastian Gribisch, Jan Patrick Hartkopf
Modeling realized covariance measures with heterogeneous liquidity: A generalized matrix-variate Wishart state-space model
Journal of Econometrics, Mar 2022
DOI: 10.1016/j.jeconom.2022.01.007

Till Baar, Sebastian Dümcke, Saskia Gressel, Björn Schwalb, Alexander Dilthey, Patrick Cramer, Achim Tresch
RNA transcription and degradation of Alu retrotransposons depends on sequence features and evolutionary history
G3 Genes$\vert$Genomes$\vert$Genetics, Volume 12, Number 5, Mar 2022
DOI: 10.1093/g3journal/jkac054

Kai Xu, Tero-Petri Ruoko, Morteza Shokrani, Dorothea Scheunemann, Hassan Abdalla, Hengda Sun, Chi-Yuan Yang, Yuttapoom Puttisong, Nagesh B. Kolhe, José Silvestre Mendoza Figueroa, Jonas O. Pedersen, Thomas Ederth, Weimin M. Chen, Magnus Berggren, Samson A. Jenekhe, Daniele Fazzi, Martijn Kemerink, Simone Fabiano
On the Origin of Seebeck Coefficient Inversion in Highly Doped Conducting Polymers
Adv Funct Materials, Volume 32, Number 20, Pages 2112276, Feb 2022
DOI: 10.1002/adfm.202112276

Azadeh Malekan, Sina Saber, Abbas Ali Saberi
Exact finite-size scaling for the random-matrix representation of bond percolation on square lattice
Chaos, Volume 32, Number 2, Pages 023112, Feb 2022
DOI: 10.1063/5.0079323

Natalia Tiessen, Mira Keßler, Beate Neumann, Hans-Georg Stammler, Berthold Hoge
Oxidative Addition von C−F-Bindungen an das Silanid-Anion [Si(C2F5)3]−
Angewandte Chemie, Volume 134, Number 17, Feb 2022
DOI: 10.1002/ange.202116468

Elaine G. Y. Chew, Tze Chiun Lim, Meng Fatt Leong, Xingliang Liu, Yee Yen Sia, See Ting Leong, Benjamin C. Yan-Jiang, Celine Stoecklin, Rosa Borhan, Stefanie Heilmann-Heimbach, Markus M. Nöthen, Virgile Viasnoff, Ng Shyh-Chang, Andrew C. A. Wan, Michael P. Philpott, Axel M. Hillmer
Observations that suggest a contribution of altered dermal papilla mitochondrial function to androgenetic alopecia
Experimental Dermatology, Volume 31, Number 6, Pages 906--917, Feb 2022
DOI: 10.1111/exd.14536

Natalia Tiessen, Mira Keßler, Beate Neumann, Hans-Georg Stammler, Berthold Hoge
Oxidative Additions of C−F Bonds to the Silanide Anion [Si(C2F5)3]−
Angew Chem Int Ed, Volume 61, Number 17, Feb 2022
DOI: 10.1002/anie.202116468

Zhiyang Quan, Anwei Hou, Bernd Goldfuss, Jeroen S. Dickschat
Mechanism of the Bifunctional Multiple Product Sesterterpene Synthase AcAS from Aspergillus calidoustus
Angew Chem Int Ed, Volume 61, Number 13, Feb 2022
DOI: 10.1002/anie.202117273

Sina Saber, Abbas Ali Saberi
Universal scaling and criticality of extremes in random matrix theory
Phys. Rev. E, Volume 105, Number 2, Feb 2022
DOI: 10.1103/physreve.105.l022102

Guo-Yi Zhu, Ji-Yao Chen, Peng Ye, Simon Trebst
Topological fracton quantum phase transitions by tuning exact tensor network states
arXiv e-print, Feb 2022
arXiv: 2203.00015v1

Philipp C. Schmid, Sven Thorwirth, Christian P. Endres, Matthias Töpfer, Álvaro Sánchez-Monge, Andreas Schwörer, Peter Schilke, Stephan Schlemmer, Oskar Asvany
Rotational Rest Frequencies and First Astronomical Search of Protonated Methylamine
Front. Astron. Space Sci., Volume 8, Feb 2022
DOI: 10.3389/fspas.2021.805162

Houchao Xu, Bernd Goldfuss, Gregor Schnakenburg, Jeroen S Dickschat
The enzyme mechanism of patchoulol synthase
Beilstein J. Org. Chem., Volume 18, Pages 13--24, Jan 2022
DOI: 10.3762/bjoc.18.2

Alexander Petrillo, Alexander Hoffmann, Jonathan Becker, Sonja Herres-Pawlis, Siegfried Schindler
Copper Mediated Intramolecular vs. Intermolecular Oxygenations: The Spacer makes the Difference!
Euro J of Inorganic Chem, Volume 2022, Number 5, Jan 2022
DOI: 10.1002/ejic.202100970

Sven Otto, Nazarii Salish
Approximate Factor Models for Functional Time Series
arXiv e-print, Jan 2022
arXiv: 2201.02532v2

P. F. Rohde, S. Walch, D. Seifried, A. P. Whitworth, S. D. Clarke
Protostellar Outflows: a window to the past
arXiv e-print, Jan 2022
DOI: 10.1093/mnras/stab3572