Computational Challenges Emerging from Next Generation Light Sources

October 12, 2009 to October 15, 2009
Location : DESY Hamburg, Germany


  • Thomas Niehaus (University of Regensburg, Germany)
  • Massimo Altarellli (European X-Ray Laser Project (XFEL), DESY Hamburg, Germany)
  • Angel Rubio (University of the Basque Country, San Sebastian, Spain)




Ultra-bright short (<100 fs) pulses of spatially coherent x-ray radiation are expected to produce a variety of results in atomic, molecular, condensed matter and soft-condensed matter science; a partial realization of this promise is already evident from FLASH experiments. Results on ultra-high intensities photoionization of atoms already offer puzzling results [1] and the same is true for clusters [2]; novel techniques emerge for diffraction imaging [3].

The progress towards wavelengths comparable to interatomic distances opens the way to ultrafast structural studies, where atomic motions during photoinduced reactions or phase transformations can be achieved by pump-probe techniques. Early attempts using presently existing sources show the wealth of information and the potential to explore Franck Condon diagrams directly, accessing regions of conical intersections and non-adiabatic regimes [4,5]


[1] A. A. Sorokin, S. V. Bobashev, T. Feigl, K. Tiedtke, H. Wabnitz, and M. Richter,
Photoelectric Effect at Ultrahigh Intensities, Phys. Rev. Lett. 99, 213002 (2007)
[2] C. Bostedt, H. Thomas, M. Hoener, E. Eremina, T. Fennel, K.-H. Meiwes-Broer, H. Wabnitz, M. Kuhlmann, E. Plönjes, K. Tiedtke, R. Treusch, J. Feldhaus, A.R.B. de Castro and T. Möller, Multistep Ionization of Argon Clusters in intense femtosecond XUV pulses, Phys. Rev. Lett. 100, 133401 (2008)
[3] Henry N. Chapman, Stefan P. Hau-Riege, Michael J. Bogan, Saša Bajt, Anton Barty, Sébastien Boutet, Stefano Marchesini, Matthias Frank, Bruce W. Woods, W. Henry Benner, Richard A. London, Urs Rohner, Abraham Szöke, Eberhard Spiller, Thomas Möller, Christoph Bostedt, David A. Shapiro, Marion Kuhlmann, Rolf Treusch, Elke Plönjes, Florian Burmeister, Magnus Bergh, Calle Caleman, Gösta Huldt, M. Marvin Seibert, and Janos Hajdu, Femtosecond Time-Delay X-ray Holography, Nature 448, 676-679 (2007)
[4] Matteo Rini, Andrea Cavalleri, Robert W. Schoenlein, René López, Leonard C. Feldman, Richard F. Haglund, Jr., Lynn A. Boatner, and Tony E. Haynes, Photoinduced phase transition in VO2 nanocrystals: ultrafast control of surface-plasmon resonance, Optics Letters 30, 558 (2005)
[5] A M Lindenberg, J Larsson, K Sokolowski-Tinten, K J Gaffney, C Blome, O Synnergren, J Sheppard, C Caleman, A G Macphee, D Weinstein, D P Lowney, T K Allison, T Matthews, R W Falcone, A L Cavalieri, D M Fritz, S H Lee, P H Bucksbaum, D A Reis, J Rudati, P H Fuoss, C C Kao, D P Siddons, R Pahl, J Als-Nielsen, S Duesterer, R Ischebeck, H Schlarb, H Schulte-Schrepping, Th Tschentscher, J Schneider, D von der Linde, O Hignette, F Sette, H N Chapman, R W Lee, T N Hansen, S Techert, J S Wark, M Bergh, G Huldt, D van der Spoel, N Timneanu, J Hajdu, R A Akre, E Bong, P Krejcik, J Arthur, S Brennan, K Luening, J B Hastings, Atomic Scale Visualization of Inertial Dynamics, Science, 308, 392 (2005)