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Publications from research using the HPC service

Publications of projects from different scientific fields which used the CHEOPS cluster or were supported by the RRZK HPC group:

2021

Jackson Pitts, Finn Lasse Buessen, Roderich Moessner, Simon Trebst, Kirill Shtengel
Order by disorder in classical kagome antiferromagnets with chiral interactions
arXiv e-print, Oct 2021
arXiv: 2110.11427v1

Andreas Stein, Persefoni Hilken née Thomopoulou, Tim Schulte, Jörg Neudörfl, Martin Breugst, Hans-Günther Schmalz
Some Surprising Transformations of Colchicone and Other Colchicine-Derived Tropolones
Eur. J. Org. Chem., Oct 2021
DOI: 10.1002/ejoc.202100999

Jan Attig, Jinhong Park, Michael M Scherer, Simon Trebst, Alexander Altland, Achim Rosch
Universal principles of moiré band structures
2D Mater., Volume 8, Number 4, Pages 044007, Sep 2021
DOI: 10.1088/2053-1583/ac1cf0

Filip Elekes, Eric J. R. Parteli
An expression for the angle of repose of dry cohesive granular materials on Earth and in planetary environments
Proc Natl Acad Sci USA, Volume 118, Number 38, Pages e2107965118, Sep 2021
DOI: 10.1073/pnas.2107965118

Sina Saber, Abbas Ali Saberi
Universal scaling and criticality of extremes in random matrix theory
arXiv e-print, Sep 2021
arXiv: 2109.02348v1

Lukas Kletsch, Rose Jordan, Alicia S. Köcher, Stefan Buss, Cristian A. Strassert, Axel Klein
Photoluminescence of Ni(II), Pd(II), and Pt(II) Complexes [M(Me2dpb)Cl] Obtained from C‒H Activation of 1,5-Di(2-pyridyl)-2,4-dimethylbenzene (Me2dpbH)
Molecules, Volume 26, Number 16, Pages 5051, Aug 2021
DOI: 10.3390/molecules26165051

Janko Sattler, Anne Brunke, Axel Hamprecht
Systematic Comparison of Three Commercially Available Combination Disc Tests and the Zinc-Supplemented Carbapenem Inactivation Method ({zCIM}) for Carbapenemase Detection in Enterobacterales Isolates
J Clin Microbiol, Volume 59, Number 9, Aug 2021
DOI: 10.1128/jcm.03140-20

Anwei Hou, Bernd Goldfuss, Jeroen S. Dickschat
Functional Switch and Ethyl Group Formation in the Bacterial Polytrichastrene Synthase from Chryseobacterium polytrichastri
Angew. Chem. Int. Ed., Volume 60, Number 38, Pages 20781--20785, Aug 2021
DOI: 10.1002/anie.202109465

Gaetano Ricci, Sofia Canola, Yasi Dai, Daniele Fazzi, Fabrizia Negri
Impact of Fluoroalkylation on the n-Type Charge Transport of Two Naphthodithiophene Diimide Derivatives
Molecules, Volume 26, Number 14, Pages 4119, Jul 2021
DOI: 10.3390/molecules26144119

Nina del Ser, Lukas Heinen, Achim Rosch
Archimedean screw in driven chiral magnets
SciPost Phys., Volume 11, Number 1, Jul 2021
DOI: 10.21468/scipostphys.11.1.009

George Driskell, Samuel Lederer, Carsten Bauer, Simon Trebst, Eun-Ah Kim
Identification of Non-Fermi Liquid Physics in a Quantum Critical Metal via Quantum Loop Topography
Phys. Rev. Lett., Volume 127, Number 4, Jul 2021
DOI: 10.1103/physrevlett.127.046601

Sylvia Hofmann, Peter Fritzsche, Tsering Dorge, Georg Miehe, Michael Nothnagel
What Makes a Hot-Spring Habitat "Hot" for the Hot-Spring Snake: Distributional Data and Niche Modelling for the Genus Thermophis (Serpentes, Colubridae)
Diversity, Volume 13, Number 7, Pages 325, Jul 2021
DOI: 10.3390/d13070325

Haiko Luepsen
ANOVA with binary variables: the F-test and some alternatives
Communications in Statistics - Simulation and Computation, Pages 1--25, Jun 2021
DOI: 10.1080/03610918.2020.1869983

Nora Gildemeister, Gaetano Ricci, Lukas Böhner, Jörg M. Neudörfl, Dirk Hertel, Frank Würthner, Fabrizia Negri, Klaus Meerholz, Daniele Fazzi
Understanding the structural and charge transport property relationships for a variety of merocyanine single-crystals: a bottom up computational investigation
J. Mater. Chem. C, Volume 9, Number 33, Pages 10851--10864, Jun 2021
DOI: 10.1039/d1tc01511g

Maryam Niazi, Axel Klein
DFT Investigation of the Molecular Properties of the Dimethylglyoximato Complexes [M(Hdmg)2] (M = Ni, Pd, Pt)
Inorganics, Volume 9, Number 6, Pages 47, Jun 2021
DOI: 10.3390/inorganics9060047

Yury V. Vishnevskiy, Norbert W. Mitzel
Reply to a Comment on "The Nature of Chalcogen-Bonding-Type Tellurium--Nitrogen Interactions"
Angew. Chem. Int. Ed., Volume 60, Number 24, Pages 13150--13157, May 2021
DOI: 10.1002/anie.202104899

Thiemo Arndt, Philip K. Wagner, Jonas J. Koenig, Martin Breugst
Iodine-Catalyzed Diels-Alder Reactions
ChemCatChem, Volume 13, Number 12, Pages 2922--2930, May 2021
DOI: 10.1002/cctc.202100342

Tim Kutzker, Nadja Klein, Dominik Wied
Flexible Specification Testing in Semi-Parametric Quantile Regression Models
arXiv e-print, May 2021
arXiv: 2105.09003v2

Houchao Xu, Bernd Goldfuss, Jeroen S. Dickschat
1,2- or 1,3-Hydride Shifts: What Controls Guaiane Biosynthesis?
Chem. Eur. J., Volume 27, Number 38, Pages 9758--9762, May 2021
DOI: 10.1002/chem.202101371

Patricia Villaescusa, Maria Seidel, Michael Nothnagel, Thomaz Pinotti, Fabricio González-Andrade, Oscar Alvarez-Gila, Marian M. de Pancorbo, Lutz Roewer
A Y-chromosomal survey of Ecuador's multi-ethnic population reveals new insights into the tri-partite population structure and supports an early Holocene age of the rare Native American founder lineage C3-MPB373
Forensic Science International: Genetics, Volume 51, Pages 102427, Mar 2021
DOI: 10.1016/j.fsigen.2020.102427

Matthias Pechmann, Nathan James Kenny, Laura Pott, Peter Heger, Yen-Ta Chen, Thomas Buchta, Orhan Özüak, Jeremy Lynch, Siegfried Roth
Striking parallels between dorsoventral patterning in Drosophila and Gryllus reveal a complex evolutionary history behind a model gene regulatory network
eLife, Volume 10, Mar 2021
DOI: 10.7554/elife.68287

Holger S. P. Müller, Ananya Brahmi M., Jean-Claude Guillemin, Frank Lewen, Stephan Schlemmer
Rotational spectroscopy of isotopic cyclopropenone, c-H2C3O, and determination of its equilibrium structure
A&A Astrophysics, Volume 647, Pages A179, Mar 2021
DOI: 10.1051/0004-6361/202040088

Davide Ori, Leonie von Terzi, Markus Karrer, Stefan Kneifel
snowScatt 1.0: consistent model of microphysical and scattering properties of rimed and unrimed snowflakes based on the self-similar Rayleigh--Gans approximation
Geosci. Model Dev., Volume 14, Number 3, Pages 1511--1531, Mar 2021
DOI: 10.5194/gmd-14-1511-2021

Philipp S. Weiß, Dennis Hardt, Achim Rosch
Entropy production for quasiadiabatic parameter changes dominated by hydrodynamics
Phys. Rev. A, Volume 103, Number 3, Mar 2021
DOI: 10.1103/physreva.103.033309

Friederike Ratsch, Joss Pepe Strache, Waldemar Schlundt, Jörg-Martin Neudörfl, Andreas Adler, Sarwar Aziz, Bernd Goldfuss, Hans-Günther Schmalz
Enantioselective Cleavage of Cyclobutanols Through Ir-Catalyzed C-C Bond Activation: Mechanistic and Synthetic Aspects
Chem. Eur. J., Volume 27, Number 14, Pages 4640--4652, Feb 2021
DOI: 10.1002/chem.202004843

Carina Heydt, Christina B. Wölwer, Oscar Velazquez Camacho, Svenja Wagener-Ryczek, Roberto Pappesch, Janna Siemanowski, Jan Rehker, Florian Haller, Abbas Agaimy, Karl Worm, Thomas Herold, Nicole Pfarr, Wilko Weichert, Thomas Kirchner, Andreas Jung, Jörg Kumbrink, Wolfgang Goering, Irene Esposito, Reinhard Buettner, Axel M. Hillmer, Sabine Merkelbach-Bruse
Detection of gene fusions using targeted next-generation sequencing: a comparative evaluation
BMC Med Genomics, Volume 14, Number 1, Feb 2021
DOI: 10.1186/s12920-021-00909-y

Ciarán Hickey, Matthias Gohlke, Christoph Berke, Simon Trebst
Generic field-driven phenomena in Kitaev spin liquids: Canted magnetism and proximate spin liquid physics
Phys. Rev. B, Volume 103, Number 6, Feb 2021
DOI: 10.1103/physrevb.103.064417

Joanna Hui Juan Tan, Say Li Kong, Joyce A. Tai, Huay Mei Poh, Fei Yao, Yee Yen Sia, Edwin Kok Hao Lim, Angela Maria Takano, Daniel Shao-Weng Tan, Asif Javed, Axel M. Hillmer
Experimental and bioinformatics considerations in cancer application of single cell genomics
Computational and Structural Biotechnology Journal, Volume 19, Pages 343--354, Jan 2021
DOI: 10.1016/j.csbj.2020.12.021

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