WED September 25

 

Wednesday, September 25, 2019 - Workshops

​Other Activities

 


Multi-Scale Structural Biology


The aim of this workshop is to review state-of-the-art results in structural biology and to facilitate a community discussion on the challenges at current and upcoming facilities. Topics include but are not limited to X-ray diffraction, scattering, electron microscopy, and temperature-jump experiments for structural and cellular biology that can reveal insights in dynamics and function across multiple scales in space and time. The workshop will also include a panel discussion on current capabilities, challenges, and future instrumentation needs that leverages synergies amongst different sources (LCLS, SSRL, cryoEM, etc.)

  • Location:  Trinity Conference Room, Building 053/Room 1350
  • Organizers: Sergio CarbajoSLAC National Accelerator National Laboratory
    Mark Hunter, SLAC National Accelerator National Laboratory
    Ray SierraSLAC National Accelerator National Laboratory
  • Program:
    Time Topic Speaker (First, Last Name) Institution
    9:00-9:20 AM Workshop Introduction Organizers  
    9:20-10:00 AM Plenary Talk Soichi Wakatsuki Stanford University
    10:00-30 AM Break
    10:30-50 AM uED Rebeccah Warmack University of California, Los Angeles
    10:50-11:10 AM cryoEM Cornelius Gati Stanford University
    11:10-11:30 AM SPI Adrian Mancuso Eu-XFEL
    11:30-11:50 AM Tr-SAXS/WAXS Rick Kirian Arizona State University
    11:50 AM-12:00 PM Wrap-up session discussion Organizers  
    12:00 PM Lunch
           
    Time Topic Speaker (First, Last Name) Institution
    1:00-1:20 PM BlaC Marius Schmidt University of Wisconsin-Milwaukee
    1:20-40 PM tr ICH MFX Henry van den Bedem SLAC National Accelerator Laboratory
    1:40-2:00 PM Time resolved Jan Kern Lawrence Berkeley National Laboratory
    2:00-2:20 PM T-jump Michael Thompson University of California, San Francisco
    2:20-2:40 PM THz/T-jump Andrea Markelz University of Buffalo
    2:40:00 - 3:00 PM Break
    3:00 - 4:30
    Panel Discussion
    Moderator: Frédéric Poitevin
    Charge: TJ Lane
    Frédéric Poitevin, Andrea Markelz, Sebastien Boutet, Jennifer Wierman, Wah Chiu, Soichi Wakatsuki
     
    4:30 onward ASC Bio Lab Tour Chris Kupitz  
    5:00 PM Conclusion

 


Automated Analysis and Control for X-ray Science Experiments (PM)

As data volumes and velocity increase for upgraded user facilities, real-time analysis is key to making decisions during an experiment. Human-in-the-loop experiment workflows are often too slow to keep up with data rates and assistance via automation is needed to help scientists. This workshop includes computing solutions or technologies that help scientists automate the "control" of their experiments where control can mean managing data, analyzing data, adjusting experimental conditions (e.g. temperature and pressure, motors, detector configurations) or controlling the beam line itself. This workshop aims to explore automation technologies and related subjects such as algorithms, data science, AI, machine learning, and simulations related to experimental science that might eventually help with automation. Scientists are encouraged to submit use cases that include or have potential to include automation, especially machine learning.

  • Location:  Panofsky Auditorium, Building 053/Room 1320
  • Lead Organizer: Christine Sweeney, Los Alamos National Laboratory 
  • Organizers: Audrey Therrien, SLAC National Accelerator National Laboratory
    Ryan Coffee, SLAC National Accelerator National Laboratory
  • Program
    Time Title of Talk Speaker (First, Last Name) Institution
    1:00pm From accelerator through beamline to experiment: Building the digital twin Gregor Hartmann Helmholtz-Zentrum Berlin
    1:30 PM Adaptive Illumination at X-ray Sources with Reinforcement Learning Jean Betterton Stanford
    2:00 PM OnDA: fast online feedback for x-ray science experiments Valerio Mariani CFEL
    2:30 PM Infrastructure For Support Of Automation At LCLS-II Christopher O'Grady LCLS
    3:00 PM [Experiences at EuXFEL: Automation and User Feedback] Anton Barty CFEL/DESY
    3:30 PM Break (posters in room), group photo Mariani, Round, Passow, Betterton, Descamps, Rodel and anyone else that wants to present a poster. HPL student will do a poster. CFEL/DESY, EuXFEL, DESY/FLASH, Stanford University
    4:00 PM Panel on barriers to and priorities for automation of X-ray science 

    Christopher O'Grady (DAQ/Control, LCLS), Anton Barty (measurement and science, CFEL/DESY), William Colocho (Accelerator, LCLS), Adam Round (EuXFEL),              Arianna Gleason (SLAC)

    LCLS, CFEL/DESY, LCLS, EuXFEL, SLAC
    4:40 PM Lightning Talks, Descamps - Development of a high accuracy routine for single photon counting at the Matter at Extreme Conditions end station, Fuller - [], Humphries - Online diagnostics for high data rates with deep learning, Jakoncic - Achieving real time feedback from two Eiger detectors at the NSLS-II MX beamlines, Wang - A billion-pixel camera (BiPC) for wide field-of-view measurements in synchrotrons and X-ray Free Electron Lasers, VanDriel - Streamlining the liquid scattering standard configuration Adrien Descamps (SLAC, photon counting), Franklin Fuller (SLAC, ML to quantify uncertainty of signal), Oliver Humphries (Emulators, Oxford), Jean Jakoncic (NSLS-II, Eiger detectors), Jeph Wang (detectors, LANL),                    Tim Van Driel (SLAC) Stanford University, SLAC, Oxford University, NSLS-II, LANL, SLAC
    5:40 PM Group discussion of trends, gaps, priorities and issues. Adjourn at 6:00pm.

 

Workshop Poster Session - posters will be displayed in the meeting room 
 
Poster Title Presenters Affiliation
OnDA: fast online feedback for x-ray science experiments Valerio Mariani Chapman Lab, CFEL/DESY
  Adam Round EuXFEL
Adaptive Illumination at X-ray Sources with Reinforcement Learning Jean Betterton Stanford University
Control software and data acquisition at the MHz repetition-rate FLASH Christopher Passow DESY
Towards high repetition: A high accuracy single photon analysis for low probability events at the MEC end-station, LCLS Adrien Descamps SLAC
Data reduction and automated data analysis in experiments combining XFELs and high power lasers Melanie Rodel Helmholtz Zentrum Dresden Rossendorf

 


MXAN:  Three Dimensional Structures for Metal Sites in Condensed Phases and in Catalysts

This workshop introduces the MXAN program, with which one can extract true three dimensional structures from the first 200 eV of an XAS spectrum, yielding both distances (±0.01 Å) and angles (±2⁰). MXAN takes advantage of extended continuum band theory to automatically calculate all the multiple scattering paths, leading to greater structural resolution than EXAFS analysis allows. Workshop attendees will introduced to the qualitative physics, will become familiar with the approach, and will learn how to apply the MXAN program with real data sets. The workshop combines presentations of method and scientific results in the morning, followed by a hands-on session to learn the code in more detail in the afternoon. MXAN can be especially useful in laser-pump, X-ray-probe experiments to derive the structure of transients.

Time Topic Speaker Institution
9:00 AM Workshop Introduction Thomas Kroll SLAC/SSRL
9:10 AM Introduction to MXAN Maurizio Benfatto INFN/LNF
10:00 AM Break    
10:20 AM MXAN code running environment Nico Sanna Cineca
10:50 AM From EXAFS to MXAN: 3D Structures in Amorphous Phases Patrick Frank SLAC/SSRL
11:30 AM Structural analyses with XANES spectra using MXAN code Keisuke Hatada University of Toyama
12:10 PM Lunch    
2:00 PM Computational setup, access to MXAN Kroll, Hatada, Benfatto  
2:30 PM Practical Introduction to MXAN Maurizio Benfatto INFN/LNF
3:10 PM Break    
3:30 PM Hands-on tutorial Benfatto, Hatada, Sarangi  
5:00 PM Adjourn    

 

 


LCLS-II Early Science & LCLS Science Campaigns (AM)

In 2020, LCLS will commission two new LCLS instruments (TMO and chemRIXS) and two new variable-gap undulators (SXU, HXU). This workshop will inform users about the commissioning plans and instrument capabilities of TMO and chemRIXS, and the plans for Early Science on these instruments in Run 18. Workshop participants will be encouraged to provide feedback, input, and ideas to refine the early science plans. This workshop will also provide an overview of the new LCLS Science Campaign Proposal process. Plans for initiating an attosecond science campaign in Run 18 will be presented.

  • Location:  Panofsky Auditorium, Building 053/Room 1320
  • Lead Organizer: Bob Schoenlein (LCLS)
  • OrganizersPeter Walter (LCLS), Georgi L. Dakovski (LCLS)
  • Program: 
    Time Title of Talk Speaker (First, Last Name) Institution
    8:15 AM Workshop Introduction Robert Schoenlein LCLS
    8:25 AM Overview of TMO Instrument Capabilities & Plans Peter Walter LCLS
    8:45 AM discussion    
    8:55 AM Overview of chemRIXS Instrument Capabilities & Plans Georgi Dakovski LCLS
    9:15 AM discussion    
    9:25 AM Run 18 Commissioning Plans & Logistics Bill Schlotter LCLS
    9:45 AM discussion    
    9:55 AM Break    
    10:15 AM TMO Early Science Plans Peter Walter LCLS
    10:35 AM discussion and contributed slides from users    
    10:50 AM ChemRIXS Early Science Plans Georgi Dakovski LCLS
    11:10 AM discussion and contributed slides from users    
    11:25 AM LCLS Science Campaigns - Overview Robert Schoenlein LCLS
    11:35 AM discussion    
    11:40 AM Attosecond Science Campaign J. Cryan, A. Marinelli, P. Walter LCLS, PULSE
    12:05 PM discussion    
    12:15 PM Conclusion

 

 


LCLS 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 LCLS UEC representatives to share your ideas, ask questions, provide feedback, etc.
    Location: Almanor Conference Room, Building 053/Room 3002

 

Arrilaga Science Center (ASC) Bio Lab Tour & Open House - 4:30-6:00 PM

SLAC Arrilaga Science Center Bio Labs

The Biolabs at the Arrillaga Science Center have officially opened for users and staff!  Please join us for an Open House during the 2019 SSRL/LCLS Users’ Meeting. The Open House will occur after the conclusion of the Biology workshop on Wednesday, September 25 from 4:30 pm until 6:00 pm. Please arrive at the patio area between buildings 53 (SUSB) and 57 (ASC) before 4:45 pm in order to participate.

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