Dr. Filip Leonarski

Beamline Data Scientist

Paul Scherrer Institut
Forschungsstrasse 111
5232 Villigen PSI

Filip Leonarski studied Theoretical Chemistry and Computer Science at the University of Warsaw and the University of Arizona, he has graduated with Master degrees in Chemistry from both universities. He has done his graduate studies in Theoretical Chemistry at the University of Warsaw under supervision of Prof. Joanna Trylska - thesis title: "Coarse-grained models for molecular dynamics of RNA. Evolutionary algorithm optimization of the potential energy function parameters". Later he received 2 year scholarship Mobility Plus scholarship from the Polish Ministry of Science to work in IBMC, Strasbourg under supervision of Dr Pascal Auffinger on classification and validation of Mg2+ binding site to RNA. From 2016 he was a postdoctoral research at the Paul Scherrer Institute under supervision of Dr Meitian Wang, where he work on JUNGFRAU detector applications for macromolecular crystallography. From 2020 he is beamline data scientist at the Paul Scherrer Institute.

Working on design and implementation of IT solutions for handling and on the fly processing of data from cutting-edge X-ray detectors at PSI, with expected throughput up to 50 GB/s, for macromolecular crystallography.

Integrating enterprise grade servers (x86 and IBM POWER with GPU and FPGA boards) and small board systems (Raspberry Pi, NVIDIA Jetson and Arduino).

Interested in edge computing, internet-of-things, machine learning, modern computing architectures and theory of X-ray protein diffraction.

  • Bernstein HJ, Förster A, Bhowmick A, Brewster AS, Brockhauser S, Gelisio L, et al.
    Gold standard for macromolecular crystallography diffraction data
    IUCrJ. 2020; 7(5): 784-792. https://doi.org/10.1107/S2052252520008672
  • Görlich S, Samuel AJ, Best RJ, Seidel R, Vacelet J, Leonarski FK, et al.
    Natural hybrid silica/protein superstructure at atomic resolution
    Proceedings of the National Academy of Sciences of the United States of America PNAS. 2020; 117(49): 31088-31093. https://doi.org/10.1073/pnas.2019140117
  • Leonarski F, Mozzanica A, Brückner M, Lopez-Cuenca C, Redford S, Sala L, et al.
    JUNGFRAU detector for brighter x-ray sources: solutions for IT and data science challenges in macromolecular crystallography
    Structural Dynamics. 2020; 7(1): 014305 (13 pp.). https://doi.org/10.1063/1.5143480
  • Martiel I, Mozzanica A, Opara NL, Panepucci E, Leonarski F, Redford S, et al.
    X-ray fluorescence detection for serial macromolecular crystallography using a JUNGFRAU pixel detector
    Journal of Synchrotron Radiation. 2020; 27: 329-339. https://doi.org/10.1107/S1600577519016758
  • Nass K, Cheng R, Vera L, Mozzanica A, Redford S, Ozerov D, et al.
    Advances in long-wavelength native phasing at X-ray free-electron lasers
    IUCrJ. 2020; 7: 965-975. https://doi.org/10.1107/S2052252520011379
  • Basu S, Olieric V, Leonarski F, Matsugaki N, Kawano Y, Takashi T, et al.
    Long-wavelength native-SAD phasing: opportunities and challenges
    IUCrJ. 2019; 6(3): 1-14. https://doi.org/10.1107/S2052252519002756
  • Leonarski F, D’Ascenzo L, Auffinger P
    Nucleobase carbonyl groups are poor Mg2+ inner-sphere binders but excellent monovalent ion binders - a critical PDB survey
    RNA. 2019; 25(11): 173-192. https://doi.org/10.1261/rna.068437.118
  • Leonarski F, Redford S, Mozzanica A, Lopez-Cuenca C, Panepucci E, Nass K, et al.
    Fast and accurate data collection for macromolecular crystallography using the JUNGFRAU detector
    Nature Methods. 2018; 15(10): 799-804. https://doi.org/10.1038/s41592-018-0143-7
  • Mozzanica A, Andrä M, Barten R, Bergamaschi A, Chiriotti S, Brückner M, et al.
    The JUNGFRAU detector for applications at synchrotron light sources and XFELs
    Synchrotron Radiation News. 2018; 31(6): 16-20. https://doi.org/10.1080/08940886.2018.1528429
  • Redford S, Andrä M, Barten R, Bergamaschi A, Brückner M, Chiriotti S, et al.
    Operation and performance of the JUNGFRAU photon detector during first FEL and synchrotron experiments
    Journal of Instrumentation. 2018; 13(11): C11006 (9 pp.). https://doi.org/10.1088/1748-0221/13/11/C11006