FRI September 27

Friday, September 27, 2019 - Workshops

Other Activities


CryoEM of Macromolecular Machines

CryoEM is a tool which can determine true atomic resolution structure without using a crystal. CryoEM can also provide multiple structure snapshots of molecular machines from a single specimen with sophisticated data processing scheme. The speakers will be selected from our cryoEM users at SLAC. Most of these structures are determined between 2.5 and 3.0 Å resolution.  

  • Location:  Berryessa Conference Room, Building 053/Room 2002
  • Organizer:  Wah Chiu (Stanford/SLAC)
  • Invited Speakers:
  • Junjie Zhang, TAMU
  • Whitney Yin, UTMB
  • Derek Taylor, Case Western
  • Marc Morais, UTMB
  • Jason Mears, Case Western
  • S H Roh, SNU
  • Program:  Details to follow


Current and Future Opportunities in Time-Resolved X-ray Science:  Materials and Interface

This workshop will begin with a combined plenary session, with parallel breakout sessions focused on Materials Phenomena and Ultrafast Electron and Molecular Dynamics at Interfaces.

  • Invited Speakers: 
    • Paul McIntyre, Stanford/SLAC/SSRL
    • Eric Pop, Stanford
    • Roopali Kukreja, U California Davis
    • Haidan Wen, ANL
    • Diling Zhu, SLAC
    • Diana Gamzina, SLAC


  • Program:  

Joint Session


I - Joint Session 9:00 AM - 12:15 PM (Panofsky Auditorium)







9:00 AM



Paul McIntyre (SLAC/Stanford)


9:20 AM

Following chemical reactions in real time using x-ray free-electron lasers and DFT


Lars Pettersson (Stockholm U)


9:50 AM



Eric Pop (Stanford)\


10:20 AM





10:45 AM



Diling Zhu (SLAC)


11:15 AM



Mark McKelvey (SLAC)


11:45 AM



Tony Heinz (SLAC/Stanford)


12:15 PM

Lunch Break




Parallel Breakout Sessions:  Interface & Materials


II - INTERFACE (Panofsky Auditorium)


III - MATERIALS (Trinity Conference Rooms)


1:00 PM

Jerry LaRue (Chapman U)

1:00 PM

Roopali Kukreja (UC Davis)


1:30 PM

Georgi Dakivski (SLAC)

1:30 PM

Clara Nyby (Stanford)


2:00 PM

Robert Baker (Ohio State U)

2:00 PM

Haidan Wen (ANL)


2:30 PM

Walter Drisdell (LBNL/JCAP)

2:30 PM



3:00 PM


3:00 PM

Diana Gamzina/Paul Wilander (SLAC)


3:15 PM

Thomas Allison (Stony Brook U)

3:30 PM

Liang Tan (LBNL)


3:45 PM

Oliver Gessner (LBNL)

4:00 PM

Open Discussion/flash talks


4:15 PM

Soonnam Kwon (Postech/PAL XFEL)




4:45 PM

Open Discussion/flash talks





Recent Advances in the X-ray Spectroscopy of the Actinides


  • In a world of ever increasing population and diminishing resources, the need for abundant and inexpensive energy remains critical. [1] Despite the problems associated with radioactive contamination/disposal and nuclear proliferation, electricity generated by nuclear power remains immensely important, [2] providing for 20% of the electrical grid of the USA and 50% or more for several European nations. [3-6] Uranium Dioxide (UO2) is by far the widely used nuclear fuel for the generation of electricity. [7] Thus, a fundamental understanding of the electronic structure of UO2 and other actinides is crucial, if only to provide the best theoretical models for their disposal and storage. [7, 8]

    Presentations on any recent advancement in Actinide X-ray Spectroscopy are welcome, including sample synthesis, novel synchrotron experiments, and improvements in theory and simulation. One aspect of this workshop will focus upon the most recent developments in advancements of beamline and spectrometer design to allow tremendous increases in resolution in various forms of x-ray spectroscopy. (See Figure to right.) The techniques to be discussed will include Resonant Inelastic x-ray scattering (RIXS), High Energy Resolution Fluorescence Detection (HERFD) and Resonant X-ray Emission Spectroscopy (RXES).

1. “Reasons for increase in demand for energy,” BBC News,
2. Y. Guerin, G.S. Was, S.J. Zinkle, MRS Bull. 34, 10 (2009).
3. Nuclear Energy Institute, Nuclear shares of electricity generation,
4. Eleanor Beardsley, France presses ahead with nuclear power, Nat’l Pub. Radio,
5. Nuclear energy, Environmental Protection Agency, USA,
6. Energy, electricity, and nuclear power: developments and projections-25 years past and future, International Atomic Energy Agency, Vienna, 2007,
7. F. Gupta, A. Pasturel, G. Brillant, Phys. Rev. B 81, 014110(2010).
8. J.G. Tobin and S.-W. Yu, Phys. Rev. Lett, 107, 167406 (2011).

  • ​Program:
Time Topic Speaker Institution
1:00 PM High energy resolution X-ray absorption and emission spectroscopy – Advanced  tools for structural studies of actinide materials Tonya Vitova Karlsruhe Institute of Technology, Institute for Nuclear Waste Disposal
1:30 PM Recent SSRL advances in high resolution x-ray spectroscopy for actinides studies​ Dimosthenis Sokaras  SLAC/SSRL
2:00 PM Separate measurement of the 5f5/2 and 5f7/2 unoccupied density of states of UO2 James G. Tobin U Wisconsin - Oshkosh
2:30 PM Break (group photo to be arranged)    
3:00 PM Plutonium phases in Hanford-derived wastes Edgar Buck Pacific Northwest National Lab
3:30 PM Actinide X-ray Spectroscopy: A Materials Science Perspective Dan Olive Los Alamos National Lab
4:00 PM Probing uranium 5f covalency using a portable tender x-ray spectrometer Alex Ditter  U Washington & Los Alamos National Lab
4:30 PM Roundtable Discussion:  How can the new SSRL capabilities help solve the issues being addressed by DOE, DOE National Laboratories and the United States scientific community?    
4:45 PM Workshop Wrap-Up D Sokaras and JG Tobin  


Developments & Challenges in X-ray Spectroscopies and Ultrafast Dynamics:  Experiment and Theory


This workshop will link theory and experiment in x-ray spectroscopy measurements and ultrafast dynamics. The goals for the workshop is to bring together researchers in the field, both in experiment and theory, to discuss challenges and to identify research projects for possible collaboration. The workshop will consist of invited talks in experiment and theory. In addition, we will also leverage the poster session to highlight work from students and postdocs.

  • Location:  Kavi Auditorium
  • Lead Organizer: Niri Govind (Pacific Northwest National Laboratory),John J Rehr (U Washington)
  • Organizers: Kelly Gaffney (SLAC), Fernando Vila (U Washington), Sotiris Xantheas (PNNL)
  • Abstract:The past 50 years have seen the development of increasingly detailed time-resolved experimental and theoretical methods that have expanded our understanding of fundamental physical and chemical processes. With the recent development of XFEL sources, we now have the ability to focus on the electronic and nuclear dynamics in molecules and condensed matter on their intrinsic space and time scales. For example, ultrafast optical and x-ray lasers can explore processes in the sub-picosecond timescale, with the ultimate goal of probing the electron and nuclear dynamics of how bonds break and reform. Given the complexity of the systems and conditions explored, these new experimental techniques have revealed many challenges and limitations in the theoretical and simulation areas. In light of this, the aim of this workshop is to bring together researchers at the forefront of theory and experiment for ultrafast x-ray spectroscopy measurements, connecting experimental and theoretical scientists to identify key projects for development, as well as link theory of spectroscopy with quantum dynamics simulations.
  • Program: 
    Time Speaker (First, Last Name) Institution
    8:30 AM Uwe Bergmann SLAC National Accelerator Laboratory
    8:55 AM Josh Vura-Weis University of Illinois, Urbana-Champaign
    9:20 AM Taisia Gorkhover  Stanford University, PULSE Institute
    9:45 AM    
    10:15 AM Xiaosong Li  University of Washington, Seattle
    10:40 AM Linda Young University of Chicago/Argonne National Laboratory
    11:05 AM Adam Kirrander University of Edinburgh
    11:30 AM Daeheum Cho  University of California, Irvine
    11:45 AM Open Discussion/flash talks  
    12:00pm Lunch


Data-reduction Pipeline for LCLS-II

The workshop's aim to have talks and discussions on how to reduce data volume by a factor of 10 in real-time, while not affecting the physics results.

  • Location:  Berryessa Conference Room, Building 053/Room 2002
  • Organizers: Jana Thayer (SLAC/LCLS), Chris O'Grady (SLAC/LCLS)
  • AbstractIt is too costly to persist all of the LCLS-II data volume (~200GB/s) to disk. To reduce costs, we will reduce the data size in real-time by ~10x. We are working to develop infrastructure, tools and algorithms to achieve this reduction. To ensure that the physics is not affected by this, it is important to work together with the users. This workshop will discuss the status of the effort, and solicit input for improvements.
  • Program:
    Time Title of Talk Speaker 
    (First, Last Name)
    1:00pm LCLS and LCLS-II Data Systems Operations Jana Thayer SLAC
    1:20pm Data Reduction: Prototype Status and Performance Clemens Weninger SLAC
    1:40pm Data Reduction: Algorithm Review and Data Access Christopher O'Grady SLAC
    2:00pm Data Reduction: SZ Compression and Crystallography Chuck Yoon SLAC
    2:15pm Data Reduction: FPGA Methods Sioan Zohar SLAC
    2:30pm Break    
    3:00pm Data Systems: psana2 Mona Uervirojnangkoorn SLAC
    3:20pm Data Systems: Real-time Monitoring with AMI2 Dan Damiani SLAC
    3:40pm Data Systems: Calibration Mikhail Dubrovin SLAC
    4:00pm Data Systems: File System Performance Wilko Kroeger SLAC
    4:20pm Data Systems: eLog Murali Shankar SLAC
    5:00pm Conclusion


SSRL User Community Meet-and-Greet ~12:00-1:00 pm

  • Time is being aside for a small group discussion over lunch to encourage user engagement. Get some lunch, then stop by to meet your SSRL UEC representatives and SSRL Director Paul McIntyre to share your ideas, etc. 
  • Location:  Almanor Conference Room, Building 053/Room 3002




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