Difference between revisions of "Jean-Noël Grad"

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(→‎Workshops: Add deRSE conferences)
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As an attendee:
 
As an attendee:
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* [https://de-rse23.sciencesconf.org/ deRSE23 - Conference for Research Software Engineering in Germany], February 20th-22nd 2023, Heinz Nixdorf Forum, Paderborn, Germany.
 +
** talk: Jean-Noël Grad, Alexander Reinauer, Markus Holzer, Christian Holm, Rudolf Weeber, ''ESPResSo and LbmPy: Re-usable and modular interface between particle-based and lattice-based simulation codes'', in: Session ''Integration vs. Modularity'' ([https://doi.org/10.5281/zenodo.7677684 talk slides]).
 
* [https://www.uni-stuttgart.de/en/university/news/event/day-of-teaching-and-learning/ Day of Teaching and Learning, “University of Stuttgart beyond THE LÄND!”], November 30th 2022, Gießelmann, Wieprecht (organizers), University of Stuttgart, Germany.
 
* [https://www.uni-stuttgart.de/en/university/news/event/day-of-teaching-and-learning/ Day of Teaching and Learning, “University of Stuttgart beyond THE LÄND!”], November 30th 2022, Gießelmann, Wieprecht (organizers), University of Stuttgart, Germany.
 
** talk: Jean-Noël Grad, Rudolf Weeber, Christian Holm, ''Teaching soft matter physics to an international audience'', in: Track 1 ''Courses taught in English'' ([https://www2.icp.uni-stuttgart.de/~icp/File:2022-grad-tdll-stuttgart.pdf talk slides])
 
** talk: Jean-Noël Grad, Rudolf Weeber, Christian Holm, ''Teaching soft matter physics to an international audience'', in: Track 1 ''Courses taught in English'' ([https://www2.icp.uni-stuttgart.de/~icp/File:2022-grad-tdll-stuttgart.pdf talk slides])
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** talk: Jean-Noël Grad, Alexander Reinauer, Rudolf Weeber, Christian Holm, ''Managing sustainable and community-driven research software in physics'' ([https://www.forschungsdaten.org/index.php/Datei:05-Grad-Managing_sustainable_and_community-driven_research_software_in_physics.pdf talk slides], [https://www.forschungsdaten.org/index.php/Workshop_Forschungssoftware_managen workshop program])
 
** talk: Jean-Noël Grad, Alexander Reinauer, Rudolf Weeber, Christian Holm, ''Managing sustainable and community-driven research software in physics'' ([https://www.forschungsdaten.org/index.php/Datei:05-Grad-Managing_sustainable_and_community-driven_research_software_in_physics.pdf talk slides], [https://www.forschungsdaten.org/index.php/Workshop_Forschungssoftware_managen workshop program])
 
* [https://se-2022.gi.de Software Engineering (SE) '22], February 21th-25th 2022, Department of Computer Science, Humboldt University of Berlin, Germany (online event).
 
* [https://se-2022.gi.de Software Engineering (SE) '22], February 21th-25th 2022, Department of Computer Science, Humboldt University of Berlin, Germany (online event).
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** talk: Jean-Noël Grad, Rudolf Weeber, Markus Holzer and Christian Holm, [https://pad.gwdg.de/XsfpS3qtSNOgSPcMKIEeCw?view#Making-use-of-established-codes-instead-of-re-inventing-the-wheel-Using-lattice-based-methods-from-waLBerla-into-ESPResSo ''Making use of established codes instead of re-inventing the wheel: Using lattice-based methods from waLBerla into ESPResSo''], in: Track ''rSE 22'' ([https://owncloud.gwdg.de/index.php/s/wRclS2MAilTXkOz?path=%2F20220224_Thursday%2F11%3A00%20-%20Room%20Schniecke%20-%20Sustainability%20%2B%20HPC talk slides]).
+
** talk: Jean-Noël Grad, Rudolf Weeber, Markus Holzer, Christian Holm, ''Making use of established codes instead of re-inventing the wheel: Using lattice-based methods from waLBerla into ESPResSo'', in: Track ''rSE 22'' ([https://owncloud.gwdg.de/index.php/s/wRclS2MAilTXkOz?path=%2F20220224_Thursday%2F11%3A00%20-%20Room%20Schniecke%20-%20Sustainability%20%2B%20HPC talk slides]).
 
* [https://doi.org/10.5281/zenodo.4430813 ''What do we (not) know about RSE?''], October 30th 2020, Lamprecht, Barker, Martinez (organizers), International Series of Online Research Software Events (SORSE).
 
* [https://doi.org/10.5281/zenodo.4430813 ''What do we (not) know about RSE?''], October 30th 2020, Lamprecht, Barker, Martinez (organizers), International Series of Online Research Software Events (SORSE).
 
** notes published in Lamprecht et al. [https://doi.org/10.5334/jors.384 ''What Do We (Not) Know About Research Software Engineering?'']. JORS, 2022.
 
** notes published in Lamprecht et al. [https://doi.org/10.5334/jors.384 ''What Do We (Not) Know About Research Software Engineering?'']. JORS, 2022.
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** de-RSE Position 001 published in Anzt et al. [http://dx.doi.org/10.12688/f1000research.23224.2 ''An environment for sustainable research software in Germany and beyond: current state, open challenges, and call for action <nowiki>[version 2; peer review: 2 approved]</nowiki>''], F1000Research, 2021.
 
** de-RSE Position 001 published in Anzt et al. [http://dx.doi.org/10.12688/f1000research.23224.2 ''An environment for sustainable research software in Germany and beyond: current state, open challenges, and call for action <nowiki>[version 2; peer review: 2 approved]</nowiki>''], F1000Research, 2021.
 
* [https://de-rse.org/en/conf2019/talk/PVEXDH/ ''Herausforderungen für die nachhaltige Entwicklung, Bereitstellung und Pflege von Forschungssoftware in Deutschland''], June 5th 2019, Loewe, Katerbow, Seemann, Bach, Druskat (organizers), deRSE19, Albert Einstein Science Park, Potsdam, Germany.
 
* [https://de-rse.org/en/conf2019/talk/PVEXDH/ ''Herausforderungen für die nachhaltige Entwicklung, Bereitstellung und Pflege von Forschungssoftware in Deutschland''], June 5th 2019, Loewe, Katerbow, Seemann, Bach, Druskat (organizers), deRSE19, Albert Einstein Science Park, Potsdam, Germany.
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* [https://de-rse.org/en/conf2019/ deRSE19 - Conference for Research Software Engineers in Germany], June 4th-6th 2019, Albert Einstein Science Park, Potsdam, Germany.
 +
** poster: Jean-Noël Grad, Rudolf Weeber, Florian Weik, Kai Szuttor, Christian Holm, ''ESPResSo: Experiences in lowering the entry barrier for new developers in a particle-based simulation package'' ([https://derse19.uni-jena.de/derse19/talk/review/SGSKQL8N3FFV9W8TE8PTAFC3RVLWEYX3 abstract])
  
 
=== Teaching ===
 
=== Teaching ===

Revision as of 19:48, 28 February 2023

Placeholder.jpg
Jean-Noël Grad
Postdoc
Office:1.041
Phone:+49 711 685-67715
Fax:+49 711 685-63658
Email:jgrad _at_ icp.uni-stuttgart.de
Address:Jean-Noël Grad
Institute for Computational Physics
Universität Stuttgart
Allmandring 3
70569 Stuttgart
Germany


Research software engineer

ORCID: 0000-0002-5821-4912

GitHub: jngrad

Publications

  • Neda Rafieiolhosseini, Matthias Killa, Thorben Neumann, Niklas Tötsch, Jean-Noël Grad, Alexander Höing, Thies Dirksmeyer, Jochen Niemeyer, Christian Ottmann, Shirley K. Knauer, Michael Giese, Jens Voskuhl, Daniel Hoffmann.
    Computational model predicts protein binding sites of a luminescent ligand equipped with guanidiniocarbonyl-pyrrole groups.
    Beilstein Journal of Organic Chemistry 18(1):1322–1331, 2022.
    [PDF] (3.4 MB) [Preprint] [DOI]
  • Anna-Lena Lamprecht, Carlos Martinez-Ortiz, Michelle Barker, Sadie L. Bartholomew, Justin Barton, Neil Chue Hong, Jeremy Cohen, Stephan Druskat, Jeremy Forest, Jean-Noël Grad, Daniel S. Katz, Robin Richardson, Robert Rosca, Douwe Schulte, Alexander Struck, Marion Weinzierl.
    What Do We (Not) Know About Research Software Engineering?
    Journal of Open Research Software 10(1):11, 2022.
    [PDF] (1.1 MB) [Preprint] [DOI]
  • Kai Szuttor, Florian Weik, Jean-Noël Grad, Christian Holm.
    Modeling the current modulation of bundled DNA structures in nanopores.
    The Journal of Chemical Physics 154(5):054901, 2021.
    [PDF] (3.0 MB) [Preprint] [DOI]
  • Annika Meiners, Sandra Bäcker, Inesa Hadrović, Christian Heid, Christine Beuck, Yasser B. Ruiz-Blanco, Joel Mieres-Perez, Marius Pörschke, Jean-Noël Grad, Cecilia Vallet, Daniel Hoffmann, Peter Bayer, Elsa Sánchez-García, Thomas Schrader, Shirley K. Knauer.
    Specific inhibition of the Survivin–CRM1 interaction by peptide-modified molecular tweezers.
    Nature Communications 12(1):1505, 2021.
    [PDF] (2.5 MB) [DOI]
  • Hartwig Anzt, Felix Bach, Stephan Druskat, Frank Löffler, Axel Loewe, Bernhard Y. Renard, Gunnar Seemann, Alexander Struck, Elke Achhammer, Piush Aggarwal, Franziska Appel, Michael Bader, Lutz Brusch, Christian Busse, Gerasimos Chourdakis, Piotr Wojciech Dabrowski, Peter Ebert, Bernd Flemisch, Sven Friedl, Bernadette Fritzsch, Maximilian D. Funk, Volker Gast, Florian Goth, Jean-Noël Grad, Jan Hegewald, Sibylle Hermann, Florian Hohmann, Stephan Janosch, Dominik Kutra, Jan Linxweiler, Thilo Muth, Wolfgang Peters-Kottig, Fabian Rack, Fabian H.C. Raters, Stephan Rave, Guido Reina, Malte Reißig, Timo Ropinski, Joerg Schaarschmidt, Heidi Seibold, Jan P. Thiele, Benjamin Uekermann, Stefan Unger, Rudolf Weeber.
    An environment for sustainable research software in Germany and beyond: current state, open challenges, and call for action [version 2; peer review: 2 approved].
    F1000Research 9(295), 2021.
    [PDF] (912 KB) [Preprint] [DOI]
  • Bernd Flemisch, Sibylle Hermann, Christian Holm, Miriam Mehl, Guido Reina, Benjamin Uekermann, David Boehringer, Thomas Ertl, Jean-Noël Grad, Dorothea Iglezakis, Alexander Jaust, Timo Koch, Anett Seeland, Rudolf Weeber, Florian Weik, Kilian Weishaupt.
    Umgang mit Forschungssoftware an der Universität Stuttgart.
    Technical report, Universität Stuttgart, 2020.
    [PDF] (134 KB) [DOI]
  • Daniel Smolin, Niklas Tötsch, Jean-Noël Grad, Jürgen Linders, Farnusch Kaschani, Markus Kaiser, Michael Kirsch, Daniel Hoffmann, Thomas Schrader.
    Accelerated trypsin autolysis by affinity polymer templates.
    RSC Advances 10(48):28711-28719, 2020.
    [PDF] (1000 KB) [DOI]
  • Alba Gigante, Jean-Noël Grad, Jeroen Briels, Maria Bartel, Daniel Hoffmann, Christian Ottmann, Carsten Schmuck.
    A new class of supramolecular ligands stabilizes 14-3-3 protein–protein interactions by up to two orders of magnitude.
    Chemical Communications 55(1):111-114, 2019.
    [PDF] (2.1 MB) [DOI]
  • Jean-Noël Grad, Alba Gigante, Christoph Wilms, Jan Nikolaj Dybowski, Ludwig Ohl, Christian Ottmann, Carsten Schmuck, Daniel Hoffmann.
    Locating Large, Flexible Ligands on Proteins.
    Journal of Chemical Information and Modeling 58(2):315–327, 2018.
    [PDF] (4.8 MB) [Preprint] [DOI]
  • Martin Ehlers, Jean-Noël Grad, Sumit Mittal, David Bier, Marcel Mertel, Ludwig Ohl, Maria Bartel, Jeroen Briels, Marius Heimann, Christian Ottmann, Elsa Sanchez-Garcia, Daniel Hoffmann, Carsten Schmuck.
    Rational Design, Binding Studies, and Crystal-Structure Evaluation of the First Ligand Targeting the Dimerization Interface of the 14-3-3ζ Adapter Protein.
    ChemBioChem 19(6):591-595, 2018.
    [PDF] (1.2 MB) [DOI]


Workshops

As a co-organizer:


As an attendee:

Teaching

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