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The advent of the X-ray Free Electron Laser (XFEL) has made it possible to record snapshots of biological entities injected into the X-ray beam before the onset of radiation damage. Algorithmic means must then be used to determine the…

Biological Physics · Physics 2013-04-01 A. Hosseinizadeh , P. Schwander , A. Dashti , R. Fung , R. M. D'Souza , A. Ourmazd

Using a quantum electrodynamic framework, we calculate the off-resonant scattering of a broad-band X-ray pulse from a sample initially prepared in an arbitrary superposition of electronic states. The signal consists of single-particle…

Chemical Physics · Physics 2015-06-19 Kochise Bennett , Jason D. Biggs , Yu Zhang , Konstantin E. Dorfman , Shaul Mukamel

We present results from the SPring-8 Angstrom Compact free electron LAser (SACLA) XFEL facility, using a high intensity ($\sim\!10^{20}\,$W/cm$^2$) X-ray pump X-ray probe scheme to observe changes in the ionic structure of silicon induced…

The routine atomic-resolution structure determination of single particles is expected to have profound implications for probing the structure-function relationship in systems ranging from energy materials to biological molecules.…

X-ray scattering has been an indispensable tool in advancing our understanding of matter, from the first evidence of the crystal lattice to recent discoveries of nuclei's fastest dynamics. In addition to the lattice, ultrafast resonant…

Single biomolecular imaging using XFEL radiation is an emerging method for protein structure determination using the "diffraction before destruction" method at near atomic resolution. Crucial parameters for such bio-imaging experiments are…

The advent of the X-ray Free Electron Laser (XFEL) has made it possible to record diffraction snapshots of biological entities injected into the X-ray beam before the onset of radiation damage. Algorithmic means must then be used to…

Biological Physics · Physics 2014-04-30 A. Hosseinizadeh , P. Schwander , A. Dashti , R. Fung , R. M. D'Souza , A. Ourmazd

The current state of the art in structural biology is led by NMR, X-ray crystallography and TEM investigations. These powerful tools however all rely on averaging over a large ensemble of molecules. Here, we present an alternative concept…

Atomic and Molecular Clusters · Physics 2015-12-15 Tatiana Latychevskaia , Jean-Nicolas Longchamp , Conrad Escher , Hans-Werner Fink

The development of X-ray Free Electron Lasers (XFELs) has opened numerous opportunities to probe atomic structure and ultrafast dynamics of various materials. Single Particle Imaging (SPI) with XFELs enables the investigation of biological…

Computer Vision and Pattern Recognition · Computer Science 2023-11-29 Zhantao Chen , Cong Wang , Mingye Gao , Chun Hong Yoon , Jana B. Thayer , Joshua J. Turner

The advent of X-ray free-electron lasers (XFELs) has revolutionized fundamental science, from atomic to condensed matter physics, from chemistry to biology, giving researchers access to X-rays with unprecedented brightness, coherence, and…

Mesoscale and Nanoscale Physics · Physics 2022-10-27 Nanna Zhou Hagström , Michael Schneider , Nico Kerber , Alexander Yaroslavtsev , Erick Burgos Parra , Marijan Beg , Martin Lang , Christian M. Günther , Boris Seng , Fabian Kammerbauer , Horia Popescu , Matteo Pancaldi , Kumar Neeraj , Debanjan Polley , Rahul Jangid , Stjepan B. Hrkac , Sheena K. K. Patel , Sergei Ovcharenko , Diego Turenne , Dmitriy Ksenzov , Christine Boeglin , Igor Pronin , Marina Baidakova , Clemens von Korff Schmising , Martin Borchert , Boris Vodungbo , Kai Chen , Chen Luo , Florin Radu , Leonard Müller , Miriam Martínez Flórez , André Philippi-Kobs , Matthias Riepp , Wojciech Roseker , Gerhard Grübel , Robert Carley , Justine Schlappa , Benjamin Van Kuiken , Rafael Gort , Laurent Mercadier , Naman Agarwal , Loïc Le Guyader , Giuseppe Mercurio , Martin Teichmann , Jan Torben Delitz , Alexander Reich , Carsten Broers , David Hickin , Carsten Deiter , James Moore , Dimitrios Rompotis , Jinxiong Wang , Daniel Kane , Sandhya Venkatesan , Joachim Meier , Florent Pallas , Tomasz Jezynski , Maximilian Lederer , Djelloul Boukhelef , Janusz Szuba , Krzysztof Wrona , Steffen Hauf , Jun Zhu , Martin Bergemann , Ebad Kamil , Thomas Kluyver , Robert Rosca , Michał Spirzewski , Markus Kuster , Monica Turcato , David Lomidze , Andrey Samartsev , Jan Engelke , Matteo Porro , Stefano Maffessanti , Karsten Hansen , Florian Erdinger , Peter Fischer , Carlo Fiorini , Andrea Castoldi , Massimo Manghisoni , Cornelia Beatrix Wunderer , Eric E. Fullerton , Oleg G. Shpyrko , Christian Gutt , Cecilia Sanchez-Hanke , Hermann A. Dürr , Ezio Iacocca , Hans T. Nembach , Mark W. Keller , Justin M. Shaw , Thomas J. Silva , Roopali Kukreja , Hans Fangohr , Stefan Eisebitt , Mathias Kläui , Nicolas Jaouen , Andreas Scherz , Stefano Bonetti , Emmanuelle Jal

We apply a recently developed framework for analyzing the convergence of stochastic algorithms to the general problem of large-scale nonconvex composite optimization more generally, and nonconvex likelihood maximization in particular. Our…

Optimization and Control · Mathematics 2024-01-25 D. Russell Luke , Steffen Schultze , Helmut Grubmüller

Single particle imaging (SPI) at X-ray free electron lasers (XFELs) is a technique to determine the 3D structure of nanoscale objects like biomolecules from a large number of diffraction patterns of copies of these objects in random…

Image and Video Processing · Electrical Eng. & Systems 2022-10-20 Abhishek Mall , Kartik Ayyer

Serial femtosecond X-ray crystallography (SFX) captures the structure and dynamics of biological macromolecules at high spatial and temporal resolutions. The ultrashort pulse produced by an X-ray free electron laser (XFEL) 'outruns' much of…

Plasma Physics · Physics 2025-06-03 Spencer K. Passmore , Alaric L. Sanders , Andrew V. Martin , Harry M. Quiney

Time-resolved X-ray scattering patterns from photoexcited molecules in solution are in many cases anisotropic at the ultrafast time scales accessible at X-ray Free Electron Lasers (XFELs). This anisotropy arises from the interaction of a…

A new scheme based on (i) upcoming brilliant X-ray Free Electron Laser (FEL) sources, (ii) novel energy and angular dispersive, large-area electron imagers and (iii) the well-known photoelectron holography is elaborated that provides…

Atomic Physics · Physics 2015-05-14 F. Krasniqi , B. Najjari , L. Strüder , D. Rolles , A. Voitkiv , J. Ullrich

Imaging of the structure of single proteins or other biomolecules with atomic resolution would be enormously beneficial to structural biology. X-ray free-electron lasers generate highly intense and ultrashort x-ray pulses, providing a route…

Atomic Physics · Physics 2014-07-30 Jan Malte Slowik , Sang-Kil Son , Gopal Dixit , Zoltan Jurek , Robin Santra

The advent of accelerator-driven free-electron lasers (FEL) has opened new avenues for high-resolution structure determination via diffraction methods that go far beyond conventional x-ray crystallography methods. These techniques rely on…

Resonant X-ray scattering (RXS) is a spectroscopy where both the power of site selective diffraction and the power of local absorption spectroscopy regarding atomic species are combined. By virtue of the dependence on the core level state…

Materials Science · Physics 2007-11-12 Yves Joly , Elena S. Nazarenko , José-Emilio Lorenzo , Sergio Di Matteo , Calogero R. Natoli

Using a novel ultrahigh resolution ($\Delta E \sim 0.1\,$eV) setup to measure electronic features in x-ray Thomson scattering (XRTS) experiments at the European XFEL in Germany, we have studied the collective plasmon excitation in aluminium…

Single-shot X-ray imaging of short-lived nanostructures such as clusters and nanoparticles near a phase transition or non-crystalizing objects such as large proteins and viruses is currently the most elegant method for characterizing their…

Atomic and Molecular Clusters · Physics 2020-10-14 Thomas Stielow , Robin Schmidt , Christian Peltz , Thomas Fennel , Stefan Scheel