Publications

Peer-reviewed open access publications

  • K Chordiya, V. Despre´, B. Nagyillés, F. Zeller, Z. Diveki, A. I. Kuleff, M. Upadhyay Kahaly, Photo-ionization initiated differential ultrafast charge migration: impacts of molecular symmetries and tautomeric forms, Royal Society of Chemistry, 2022, https://doi.org/10.1039/D2CP02681C
  • K. Chordiya, V. Despré, B. Nagyillés, F. Zeller, Z. Diveki, A. I. Kuleff, M. Upadhyay Kahaly, Photo-ionization initiated differential ultrafast charge migration: impacts of molecular symmetries and tautomeric forms, Physical Chemistry Chemical Physics, 2022, DOI: https://doi.org/10.1039/D2CP02681C
  • Juncheng E, Y. Kim, J. Bielecki, M. Sikorski, R. de Wijn, C. Fortmann-Grote, J. Sztuk-Dambietz,  J. C. P. Koliyadu, R. Letrun,  H. J. Kirkwood, T. Sato, R. Bean, A. P. Mancuso, and  C. Kim, Expected resolution limits of x-ray free-electron laser single-particle imaging for realistic source and detector properties, Structural Dynamics 9, 064101 (2022); https://doi.org/10.1063/4.0000169
  • M. Sanchez del Rio, R. Celestre, J. Reyes-Herrera, P. Brumund, M. Cammarata, A fast and light tool for partially-coherent beamline simulations in fourth generation storage rings based on coherent mode decomposition, Journal of Synchrotron Radiation, Vol. 29, 2022, https://doi.org/10.1107/S1600577522008736
  • X. J. Yu, X. Chi, T. Smulders, A. T. S. Wee, A. Rusydi, M. Sanchez del Rio and M. B. H. Breese, Beamline simulations using monochromators with high d-spacing crystals, Journal of Synchrotron Radiation, Vol. 29, part 5, 1157-1166 (2022), DOI: https://doi.org/10.1107/S160057752200707X
  • E, J., Stransky, M., Jurek, Z. et al. Effects of radiation damage and inelastic scattering on single-particle imaging of hydrated proteins with an X-ray Free-Electron Laser. Sci Rep 11, 17976 (2021), DOI: https://doi.org/10.1038/s41598-021-97142-5
  • M. Beg, J. Taka, T. Kluyver, A. Konovalov, M. Ragan-Kelley, N.M. Thiery, H. Fangohr, Using Jupyter for Reproducible Scientific Workflows, in Computing in Science & Engineering, vol. 23, no. 2, pp. 36-46, 1 March-April 2021, DOI: 10.1109/MCSE.2021.3052101 – Download the full article here.
  • M. Manfredda, A. Hafner, S. Gerusina, N. Mahne, A. Simoncig, M. Zangrando, and L. Raimondi WISER wavefront propagation simulation code: advances and applications, Proc. SPIE 11493, Advances in Computational Methods for X-Ray Optics V, 114930B (16 September 2020); https://doi.org/10.1117/12.2568574
  • A. Götz, J. Bodera Sempere, A. Campbell, A. de Maria, M. del Rio, R. Dimper, J. Kieffer, A.Solé, T. Vincent; S. Caunt, J. Hall, J. F. Perrin, N. Carboni, A.Hafner, R. Pugliese, M. Bertelsen, T. H. Rod, T. S. Richter, J. Taylor, J. C. E, H. Fangohr, C. Fortmann-Grote, T. Kluyver, R. Rosca, F. Gliksohn, L. Schrettner, Enabling Open Science for Photon and Neutron Sources, ICALEPCS2019 Proceedings, JACoW Publishing, 30 August 2020, DOI: https://doi.org/10.18429/JACoW-ICALEPCS2019-TUBPL02
  • H. 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. Spirzewski, J. Sztuk, J. Szuba, S. Trojanowski, K. Wrona, A. A. Yaroslavtsev, J. Zhu, J. Reppin, F. Schlünzen, M. Schuh, E. Fernandez-del-Castillo, G. Sipos, T. H. Rod, J. R. Selknaes, J. W. Taylor, A. Campbell, A. Götz, J. Kieffer, J. Hall, E. Pellegrini, J. F. Perrin, Data exploration and analysis with Jupyter Notebooks, ICALEPCS2019 Proceedings, JACoW Publishing, 30 August 2020, DOI: https://doi.org/10.18429/JACoW-ICALEPCS2019-TUCPR02
  • J. C. E, A. Hafner, T. Kluyver, M. Bertelsen, M. Upadhyay Kahaly, Z. Lecz, S. Nourbakhsh, A. P. Mancuso, and C. Fortmann-Grote, VINYL: The VIrtual Neutron and x-raY Laboratory and its applications, Proc. SPIE 11493, Advances in Computational Methods for X-Ray Optics V, 114930Z (21 August 2020); https://doi.org/10.1117/12.2570378
  • R. Dimper, A. Götz, A. De Maria, M. Solé V.A., Chaillet, B. Lebayle, ESRF Data Policy, Storage, and Services, Synchrotron Radiation News, Volume 32, 2019 – Issue 3, DOI: https://doi.org/10.1080/08940886.2019.1608119

Green open access publications

  • A. Ashton, C. Biscari, P. Čermák, J.-C. Deinert, F. von Delft, P. Fuhrmann, A. Götz, K. Madi, R. McGreevy, Y. Sun, M. Upadhyay Kahaly, Booklet of presentations from the PaN EOSC Symposium 2021, https://doi.org/10.5281/zenodo.5636331
  • J. E, Codes for studying the effects of radiation damage and inelastic scattering on single-particle imaging of hydrated proteins with an X-ray Free-Electron Laser, 24 August 2021, PaNOSC on Zenodo, DOI: https://doi.org/10.5281/zenodo.5243148
  • Götz, Andy, Helliwell, John, Richter, Tobias, & Taylor, Jonathan. (2021). The vital role of primary experimental data for ensuring trust in (Photon & Neutron) science. Zenodo. DOI: https://doi.org/10.5281/zenodo.5155882
  • A. Götz, J. Taylor, R. Dimper, J.-F. Perrin, F. Gliksohn, D. Roccella, K. Wrona, T. Ivănoaica, J. Malka, S. Collins, PaNOSC Guidelines on best practices implementing a research data policy, 5 June 2021, PaNOSC on Zenodo, DOI: https://doi.org/10.5281/zenodo.4899344
  • G. Lamanna; I. Bird; A. Petzold; A. Asmi; M. Brus; N. Blomberg; M. Räß; R. Dimper; A. Götz; R. Dekker, ESFRI Science Clusters Position Statement on Expectations and Long-Term Commitment in Open Science, 2 June 2021, PaNOSC on Zenodo, DOI: https://doi.org/10.5281/zenodo.4892245
  • A. Götz, D. Salvat, Daniel; F. Schluenzen, Frank; A. Ashton, R. Dimper, White paper on suitability of HNScienceCloud and European Open Science Cloud for synchrotron and FEL applications, 24 February 2021, PaNOSC on Zenodo, DOI: https://doi.org/10.5281/zenodo.4558934
  • C. Cuciniello, S. Daenke, T. Ferrari, P. Fuhrmann, A. Goetz, J. Hrusak, R. Lueck, F. Maia, Booklet of presentations from the PaN EOSC Symposium 2020, 19 November 2020, PaNOSC on Zenodo, DOI: https://doi.org/10.5281/zenodo.4279166
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