This image shows Jean-Noël Grad

Jean-Noël Grad

Dr.

Postdoc
Institute for Computational Physics

Contact

+49 711 685 67715
+49 711 685 63658

Allmandring 3
70569 Stuttgart
Deutschland
Room: 1.041

  1. 2024

    1. Beyer, D., Torres, P. B., Pineda, S. P., Narambuena, C. F., Grad, J.-N., Košovan, P., & Blanco, P. M. (2024). pyMBE: The Python-based molecule builder for ESPResSo. The Journal of Chemical Physics, 161(2), Article 2. https://doi.org/10.1063/5.0216389
    2. Weeber, R., Grad, J.-N., Beyer, D., Blanco, P. M., Kreissl, P., Reinauer, A., Tischler, I., Košovan, P., & Holm, C. (2024). ESPResSo, a Versatile Open-Source Software Package for Simulating Soft Matter Systems. In M. Yáñez & R. J. Boyd (Eds.), Comprehensive Computational Chemistry (First Edition) (First Edition, pp. 578–601). Elsevier. https://doi.org/10.1016/B978-0-12-821978-2.00103-3
  2. 2023

    1. Weeber, R., Grad, J.-N., Beyer, D., Blanco, P. M., Kreissl, P., Reinauer, A., Tischler, I., Košovan, P., & Holm, C. (2023). ESPResSo, a Versatile Open-Source Software Package for Simulating Soft Matter Systems. In Reference Module in Chemistry, Molecular Sciences and Chemical Engineering. Elsevier. https://doi.org/10.1016/B978-0-12-821978-2.00103-3
    2. Sufi, S., Martinez-Ortiz, C., Doorn, P., Farrell, J., Barker, M., Katz, D. S., Jackson, A., Struck, A., Sandeman, A., Stewart, A., Terrel, A. R., Companjen, B., Haupt, C., Strasser, C., Goble, C., Chavez, C. V. F. G., Venters, C., Dietrich, D., Colón-Marrero, E., … Rampin, V. (2023). Report on the Workshop on Sustainable Software                    Sustainability 2021 (WoSSS21). Zenodo. https://doi.org/10.5281/zenodo.7951155
  3. 2022

    1. Rafieiolhosseini, N., Killa, M., Neumann, T., Tötsch, N., Grad, J.-N., Höing, A., Dirksmeyer, T., Niemeyer, J., Ottmann, C., Knauer, S. K., Giese, M., Voskuhl, J., & Hoffmann, D. (2022). Computational model predicts protein binding sites of a luminescent ligand equipped with guanidiniocarbonyl-pyrrole groups. Beilstein Journal of Organic Chemistry, 18, 1322--1331. https://doi.org/10.3762/bjoc.18.137
    2. Lamprecht, A.-L., Martinez-Ortiz, C., Barker, M., Bartholomew, S. L., Barton, J., Hong, N. C., Cohen, J., Druskat, S., Forest, J., Grad, J.-N., Katz, D. S., Richardson, R., Rosca, R., Schulte, D., Struck, A., & Weinzierl, M. (2022). What Do We (Not) Know About Research Software Engineering? Journal of Open Research Software, 10. https://doi.org/10.5334/jors.384
  4. 2021

    1. Anzt, H., Bach, F., Druskat, S., Löffler, F., Loewe, A., Renard, B. Y., Seemann, G., Struck, A., Achhammer, E., Aggarwal, P., Appel, F., Bader, M., Brusch, L., Busse, C., Chourdakis, G., Dabrowski, P. W., Ebert, P., Flemisch, B., Friedl, S., … Weeber, R. (2021). An environment for sustainable research software in Germany and beyond: current state, open challenges, and call for action. F1000Research, 9, 295. https://doi.org/10.12688/f1000research.23224.2
    2. Szuttor, K., Weik, F., Grad, J.-N., & Holm, C. (2021). Modeling the current modulation of bundled DNA structures in nanopores. The Journal of Chemical Physics, 154(5), Article 5. https://doi.org/10.1063/5.0038530
  5. 2020

    1. Flemisch, B., Hermann, S., Holm, C., Mehl, M., Reina, G., Uekermann, B., Boehringer, D., Ertl, T., Grad, J.-N., Iglezakis, D., Jaust, A., Koch, T., Seeland, A., Weeber, R., Weik, F., & Weishaupt, K. (2020). Umgang mit Forschungssoftware an der Universität Stuttgart. Universität Stuttgart. https://doi.org/10.18419/OPUS-11178

As a co-organizer:

 

As an attendee:

ResearcherID: LEL-7352-2024

Scopus Author ID: 57200640059

ORCID: 0000-0002-5821-4912

GitHub: jngrad

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