Wed, September 25

Wednesday, September 25, 2019 - Workshops

• LCLS-II Early Science & LCLS Science Campaigns (AM)
  • ​Panofsky Auditorium, Building 053/Room 1320
• Automated Analysis and Control for X-ray Science Experiments (PM)
  • ​Panofsky Auditorium, Building 053/Room 1320
• MXAN:  Three Dimensional Structures for Metal Sites in Condensed Phases and in Catalysts
  • ​Berryessa Conference Room, Building 053/Room 2002
• Multi-Scale Structural Biology
  • ​Trinity Conference Room, Building 053/Room 1350

​Other Activities

• ​LCLS User Community Meet-and-Greet ~12:00-1:00 pm
  • ​Almanor Conference Room, Building 053/Room 3002
• Satellite Event:  Arrilaga Science Center (ASC) Bio Lab Tour & Open House (4:30-6:00 PM)
  • ​Meet before 4:45 pm on 2nd Floor Patio between SUSB and ASC

Multi-Scale Structural BiologyThe 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 Carbajo, SLAC National Accelerator National LaboratoryMark Hunter, SLAC National Accelerator National LaboratoryRay Sierra, SLAC 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 DiscussionModerator: Frédéric PoitevinCharge: 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)

>>Live Stream (opens in new window)

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 LaboratoryRyan 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 - Group Photo (meet in front of SUSB) (posters in room)	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.

​

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.

• Location:  Berryessa Conference Room, Building 053/Room 2002
• Organizers:  Patrick Frank, Thomas Kroll, Riti Sarangi (Stanford/SLAC/SSRL)
• MXAN Contact Information
• Program & Repository of Resources:

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

>>Live Stream (opens in new window)

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."}" style="font-size: 12pt; font-family: Calibri, Arial;">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.

This workshop will be live streamed for remote participants. Participants who wish to show a slide during the open discussion periods on early science (TMO 10:35 am, ChemRIXS 11:10 am) can access the Zoom webinar clicking here.

• Location:  Panofsky Auditorium, Building 053/Room 1320
• Lead Organizer: Bob Schoenlein (LCLS)
• Organizers: Peter 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

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.