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.  

·         8:30 am   Junjie Zhang, Texas A&M University 

·         9:00 am   Whitney Yin, University of Texas Medical Branch

·         9:30 am  Derek Taylor, Case Western University

·         10:00 am Coffee break 

·         10:30 am Marc Morais, University of Texas Medical Branch

·         11:00 am Jason Mears, Case Western University 

·         11:30 am Soung-Hun Roh, Seoul National University

·         12:00 pm Lunch Break



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

Joint Ssession
Time Title of Talk Speaker Institution
9:00AM Introduction Paul McIntyre  SLAC, Stanford
9:20AM Following chemical reactions in real time using x-ray free-electron lasers and DFT Lars Pettersson  Stockholm University, Sweden
9:50AM Electron, phonon, and interfacial transport in 2D materials and heterostructures Eric Pop  Stanford
10:20am Break    
10:45AM Towards a femtosecond x-ray nanoprobe: hard x-ray pump-probe in the LCLS-II era Diling Zhu SLAC
11:15AM The LCLS Detector Development Program Mark McKelvey  SLAC
11:45AM Following ultrafast surface dynamics and reactions using x-ray free electron lasers Tony Heinz  SLAC, Stanford
11:45AM Lunch Break    
Breakout Sessions
  Interfaces   Materials
Time Speaker/Institution/Title of Talk Time Speaker/Institution/Title of Talk
1:00 PM Jerry LaRue (Chapman U):  Probing carbon monoxide reaction dynamics on metal surfaces 1:00 PM Roopali Kukreja (UC Davis):  Manipulation of photo-induced strain in ferroelectric devices
1:30 PM Georgi Dakovski (SLAC): NEH2.2 Overview and Capabilities 1:30 PM Clara Nyby (Stanford):  Ultrafast probes of thermal transport in 2d materials
2:00 PM Robert Baker (Ohio State U):  Observing Ultrafast Charge and Spin Dynamics at Catalytic Interfaces. 2:00 PM Haidan Wen (ANL):  Time-resolved x-ray diffraction microscopy for materials science
2:30 PM Walter Drisdell (LBNL/JCAP): Soft X-ray Second Harmonic Generation Spectroscopy of Interfaces 2:30 PM Break
3:00 PM Break 3:00 PM Diana Gamzina/Paul Wilander (SLAC):  opper reconsidered: material innovations to transform vacuum electronics
3:15 PM Thomas Allison (Stony Brook U):  Time-resolved ARPES at 80 MHz repetition rate with full 2π electron collection 3:30 PM Liang Tan (LBNL): Dynamical simulations of non-perturbative, non-equilibrium materials phenomena
3:45 PM Oliver Gessner (LBNL):  Ultrafast X-ray Studies of Interfacial Energy- and Charge-Transfer Dynamics 4:00 PM Open Discussion/flash talks
4:15 PM Soonnam Kwon (Postech/PAL XFEL):  PAL-XFEL soft x-ray instruments as a tool for the time-resolved x-ray science    
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 Nonlinear X-ray Emission Spectroscopy on 3d Transition Metals Uwe Bergmann SLAC
    8:55 AM Femtosecond M-edge XANES of transition metal complexes Josh Vura-Weis University of Illinois, Urbana-Champaign
    9:20 AM What happens when sub-fs short, intense X-ray pulses are scattered before Auger decay occurs Taisia Gorkhover  SLAC
    9:45 AM Break
    10:15 AM Computational L-edge Spectroscopy Xiaosong Li  University of Washington, Seattle
    10:40 AM Ultrafast x-ray spectroscopies of ionized liquid water Linda Young University of Chicago/Argonne National Laboratory
    11:05 AM Ultrafast x-ray scattering: beyond structure Adam Kirrander University of Edinburgh
    11:30 AM Time- and frequency-resolved diffraction with stochastic X-ray pulses 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-II Data Systems Overview Jana Thayer SLAC
    1:20pm LCLS-II Timing System Matt Weaver SLAC
    1:40pm Data Reduction Pipelines - Event Builder and Algorithms Overview Christopher O'Grady SLAC
    2:10 PM AMI2 Dan Flath, 
    Seshu Yamajala
    2:30 PM Run Control Chris Ford SLAC
    2:45 PM FPGA Methods Sion Zohar SLAC
    3:00 PM Break
    3:15 PM SZ Compression Chuck Yoon SLAC
    3:30 PM psana2 Mona Uervirojnangkoorn SLAC
    3:45 PM Software for COLTRIMS detectors Mikhail Dubrovin SLAC
    4:00 PM Data Management and eLog Murali Shankar SLAC
    4:30 PM Data Reduction Policy Proposal Jana Thayer SLAC
    4:40 PM 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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