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Publications

Selected publication explicitly acknowledging the DESY HPC infrastructures. It also includes a few publication without explicit acknowledgment (*) , but which have been reported by Maxwell users, which found the cluster particularly essential for their work.

To cite or acknowledge the use of the cluster you could add a line like "This research was supported in part through the Maxwell computational resources operated at Deutsches Elektronen-Synchrotron DESY, Hamburg, Germany" to the acknowledgments.


2020 (37)
Title Authors Reference
Hard X-ray nano-holotomography with a Fresnel zone plate Silja Flenner, Adam Kubec, Christian David, Malte Storm, Clemens F. Schaber, Fritz Vollrath, Martin Müller, Imke Greving, and Johannes Hagemann https://doi.org/10.1364/OE.406074

Scalable spectral solver in Galilean coordinates for eliminating the numerical Cherenkov instability in particle-in-cell simulations of streaming plasmas

Kirchen, Manuel and Lehe, Remi and Jalas, Soeren and Shapoval, Olga and Vay, Jean-Luc and Maier, Andreas R

Phys. Rev. E 102, 013202

London Dispersion and Hydrogen-Bonding Interactions in Bulky Molecules: The Case of Diadamantyl Ether Complexes.  Quesada Moreno MM, Pinacho P, Pérez C, Šekutor M, Schreiner PR, Schnell M. Chemistry. 2020;26(47):10817-10825.
Inhibition of SARS-CoV-2 main protease by allosteric drug-binding

New aerodynamic lens injector for single particle diffractive imaging

Nils Roth, Daniel A. Horke, Jannik Lübke, Amit K. Samanta, Armando D. Estillore, Lena Worbs, Nicolai Pohlman, Kartik Ayyer, Andrew Morgan, Holger Fleckenstein, Martin Domaracky, Benjamin Erk, Christopher Passow, Jonathan Correa, Oleksandr Yefanov, Anton Barty, Saša Bajt, Richard A. Kirian, Henry N. Chapman, Jochen Küpper

https://arxiv.org/abs/2012.11237

Assessing the performance of rotational spectroscopy in chiral analysis

Sérgio R. Domingos, Cristóbal Pérez, Mark D. Marshall, Helen O. Leung, Melanie Schnell

Chem. Sci., 2020, 11, 10863-10870
The low-barrier methyl internal rotation in the rotational spectrum of 3-methylphenylacetylene Daniel A. Obenchain, Pablo Pinacho, Sabrina Zinn, Melanie Schnell

Journal of Molecular Structure, Volume 1213, 2020

Ponderomotively Assisted Ionization Injection in Plasma Wakefield Accelerators

Ming Zeng , Alberto Martinez de la Ossa and Jens Osterhoff New Journal of Physics
Simulation of artificial and biological nanoparticles’ trajectories in hybrid force-fields Simon Welker Bachelor thesis

Ponderomotive Injection in Plasma Wakefield Accelerators

Ming Zeng, Alberto Martinez de la Ossa, Jens Osterhoff https://arxiv.org/abs/2008.08485
DATA EXPLORATION AND ANALYSIS WITH Jupyter NOTEBOOKS

Fangohr, M. Beg, M. Bergemann, V. Bondar, S. Brockhauser, C. Carinan, R. Costa,F. Dall’Antonia, C. Danilevski, J. C. E, W. Ehsan, S. G. Esenov, R. Fabbri, S. Fangohr, G. Flucke,C. Fortmann, D. Fulla Marsa, G. Giovanetti, D. Goeries, S. Hauf, D. G. Hickin, T. Jarosiewicz5,E. Kamil, M. Karnevskiy, Y. Kirienko, A. Klimovskaia, T. A. Kluyver, M. Kuster, L. Le Guyader,A. Madsen, L. G. Maia, D. Mamchyk, L. Mercadier, T. Michelat, J. Möller, I. Mohacsi, A. Parenti,M. Reiser, R. Rosca, D. B. Rueck, T. Rüter, H. Santos, R. Schaffer, A. Scherz, M. Scholz, A. Silenzi,M. Spirzewski5, J. Sztuk, J. Szuba, S. Trojanowski, K. Wrona, A. A. Yaroslavtsev, J. Zhu


17th Int. Conf. on Acc. and Large Exp. Physics Control Systems

HEPfit: a code for the combination of indirect and direct constraints on high energy physics models

de Blas, J., Chowdhury, D., Ciuchini, M. et al. Eur. Phys. J. C 80, 456 (2020).

The 1-Megapixel pnCCD Detector for the Small Quantum Systems Instrument at the European XFEL: System and Operation Aspects

Markus Kuster, Karim Ahmed, Kai-Erik Ballak, Cyril Danilevski, Marko Ekmedžić, Bruno Fernandes, Patrick Gessler, Robert Hartmann, Steffen Hauf, Peter Holl, Michael Meyer, Jacobo Montaño, Astrid Münnich, Yevheniy Ovcharenko, Nils Rennhack, Tonn Rüter, Daniela Rupp, Dieter Schlosser, Kiana Setoodehnia, Rüdiger Schmitt, Lothar Strüder, Rico Mayro P. Tanyag, Anatoli Ulmer, Hazem Yousef

https://arxiv.org/abs/2011.11443

https://scripts.iucr.org/cgi-bin/paper?ay5569


Consolidating the interactive analysis and Grid infrastructure at DESY

C. Beyer, T. Finnern, M. Flemming, A. Gellrich, T. Hartmann, Y. Kemp, B. Lewendel, J. Reppin, K. Sever, S. Sternberger, C. Voss

EPJ Web of Conferences 245, 07003 (2020)

Beyond HEP: Photon and accelerator science computing infrastructure at DESY

C. Beyer, S. Bujack, S. Dietrich, T. Finnern, M. Flemming, P. Fuhrmann, M. Gasthuber, A. Gellrich, V. Guelzow, T. Hartmann, J. Reppin, et al.

EPJ Web of Conferences 245, 07036 (2020)
Novel Concepts and Theoretical Studies for High-Quality Plasma-Based Accelerators Ángel Ferran Pousa PhD thesis

Synchrotron X-ray fluorescence imaging of strontium incorporated into the enamel and dentine of wild-shot orangutan canine teeth

M. Christopher Dean, Adeline Le Cabec, Stijn J.M.Van Malderen, Jan Garrevoet


Archives of Oral Biology, Volume 119, 2020

Harnessing the power of an X-ray laser for serial crystallography of membrane proteins crystallized in lipidic cubic phase

Ming-Yue Lee, James Geiger, Andrii Ishchenko, Gye Won Han, Anton Barty, Thomas A. White, Cornelius Gati, Alexander Batyuk, Mark S. Hunter, Andrew Aquila, Sébastien Boutet, Uwe Weierstall, Vadim Cherezovb, Wei Liua IUCrJ Volume 7 | Part 6 | November 2020 | Pages 976-984

Hard X-ray wavefront correction via refractive phase plates made by additive and subtractive fabrication techniques

Frank Seiboth, Dennis Brückner, Maik Kahnt, Mikhail Lyubomirskiy, Felix Wittwer, Dmitry Dzhigaev, Tobias Ullsperger, Stefan Nolte, Frieder Koch, Christian David, Jan Garrevoet, Gerald Falkenberg, Christian G. Schroer

J. Synchrotron Rad. (2020). 27, 1121-1130


Pushing the temporal resolution in absorption and Zernike phase contrast nanotomography: enabling fast in situ experiments

Silja Flenner, Malte Storm, Adam Kubec, Elena Longo, Florian Döring, Daniël M. Pelt, Christian David, Martin Müller, Imke Greving J. Synchrotron Rad. (2020). 27, 1339-1346

Approaching black-box calculations of pump-probe fragmentation dynamics of polyatomic molecules

Denis S. Tikhonov, Amlan Datta, Pragya Chopra, Amanda L. Steber, Bastian Manschwetus und Melanie Schnell

Zeitschrift für Physikalische Chemie Band 234: Heft 7-9


Angular emission distribution of O 1s photoelectrons of uniaxially oriented methanol

L Kaiser, K Fehre, N M Novikovskiy, J Stindl, D Tsitsonis, G Gopakumar, I Unger,, J Söderström, O Björneholm, M Schöffler, T Jahnke, R Dörner, F Trinter, Ph V Demekhin


Journal of Physics B: Atomic, Molecular and Optical Physics , Volume 53 , Number 19

Interatomic resonant Auger effect in N2O

Sascha Deinert, Alexander Schrodt, Gregor Hartmann, Alexander Achner, Anton N Artemyev, Arno Ehresmann, Andreas Hans, Markus Ilchen, Leif Glaser, Frank Scholz, Jörn Seltmann, Jens Viefhaus, Philipp V Demekhin, André Knie

Journal of Physics B: Atomic, Molecular and Optical Physics, Volume 53, Number 22


Dynamically induced doublon repulsion in the Fermi-Hubbard model probed by a single-particle density of states

V. N. Valmispild, C. Dutreix, M. Eckstein, M. I. Katsnelson, A. I. Lichtenstein, E. A. Stepanov https://arxiv.org/abs/2005.12812

Socio-economic disparities and COVID-19 in the USA

Ayan Paul, Philipp Englert, Melinda Varga


https://arxiv.org/abs/2009.04935

Proof-of-concept for 2D/CT element analysis of entire cryofrozen islets of Langerhans using a cryoloop synchrotron X-ray fluorescence setup

Björn De Samber, Mohammed Bensellam, Stijn J. M. Van Malderen, Frank Seiboth, Dennis Brückner, Jan Garrevoet, Gerald Falkenberg, Jean-Christophe Jonas, Laszlo Vinczea


J. Anal. At. Spectrom. , 2020,35, 1368-1379

Controlled density-downramp injection in a beam-driven plasma wakefield accelerator

Alexander Knetsch, Bridget Sheeran, Lewis Boulton, Pardis Niknejadi, Kristjan Põder, Lucas Schaper, Ming Zeng, Simon Bohlen, Gregory Boyle, Theresa Brümmer, James Chappell, Richard D'Arcy, Severin Diederichs, Brian Foster, Matthew James Garland, Pau Gonzalez Caminal, Bernhard Hidding, Vladislav Libov, Carl Andreas Lindstrøm, Alberto Martinez de la Ossa, Martin Meisel, Trupen Parikh, Bernhard Schmidt, Sarah Schröder, Gabriele Tauscher, Stephan Wesch, Paul Winkler, Jonathan Wood, Jens Osterhoff https://arxiv.org/abs/2007.12639

Photon statistics and signal to noise ratio for incoherent diffraction imaging

Fabian Trost, Kartik Ayyer, Henry Chapman https://arxiv.org/abs/2005.03389

Getting High: High Fidelity Simulation of High Granularity Calorimeters with High Speed

Erik Buhmann, Sascha Diefenbacher, Engin Eren, Frank Gaede, Gregor Kasieczka, Anatolii Korol, Katja Krüger https://arxiv.org/abs/2005.05334

Observation of electric-quadrupole infrared transitions in water vapor

Alain Campargue, Samir Kassi, Andrey Yachmenev, Aleksandra A. Kyuberis, Jochen Küpper, and Sergei N. Yurchenko

Phys. Rev. Research 2, 023091

Catalytic cleavage of HEAT and subsequent covalent binding of the tetralone moiety by the SARS-CoV-2 main protease Sebastian Günther , Patrick Y. A. Reinke , Dominik Oberthuer, et al.

Structural control for the coordinated assembly into functional pathogenic type-3 secretion systems

Nikolaus Goessweiner-Mohr , Vadim Kotov , Matthias J. Brunner , Julia Mayr , Jiri Wald , Lucas Kuhlen , Sean Miletic , Oliver Vesper , Wolfgang Lugmayr , Samuel Wagner , Frank DiMaio , Susan Lea , Thomas C. Marlovits

Plasma eyepieces for petawatt class lasers

Ming Zeng, Alberto Martinez de la Ossa Kristjan Poder, Jens Osterhoff

 Physics of Plasmas 27, 023109

Full 3D + 1 modeling of tilted-pulse-front setups for single-cycle terahertz generation

JOSAB, Vol. 37(4),1000-1007

Correlated X-ray Ptychography and Fluorescence Nano-Tomography on the Fragmentation Behavior of an Individual Catalyst Particle during the Early Stages of Olefin Polymerization

Koen W. Bossers, Roozbeh Valadian, Silvia Zanoni, Remy Smeets, Nic Friederichs, Jan Garrevoet, Florian Meirer, and Bert M. Weckhuysen

JACS

pinkIndexer – a universal indexer for pink-beam X-ray and electron diffraction snapshots (*)

Gevorkov, Y., Barty, A., Brehm, W., White, T. A., Tolstikova, A., Wiedorn, M. O., Meents, A., Grigat, R.-R., Chapman, H. N. & Yefanov, O. Acta Cryst. A76.
Ghost imaging at an XUV free-electron laser. Young Yong Kim, Luca Gelisio, Giuseppe Mercurio, Siarhei Dziarzhytski, Martin Beye, Lars Bocklage, Anton Classen, Christian David, Oleg Yu. Gorobtsov, Ruslan Khubbutdinov, Sergey Lazarev, Nastasia Mukharamova, Yuri N. Obukhov, Benedikt Rösner, Kai Schlage, Ivan A. Zaluzhnyy, Günter Brenner, Ralf Röhlsberger, Joachim von Zanthier, Wilfried Wurth, and Ivan A. Vartanyants.

Phys. Rev. A 2020 101, 013820.