WED September 25
Wednesday, September 25, 2019 - Workshops
- LCLS-II Early Science & LCLS Science Campaigns (AM)
- Automated Analysis and Control for X-ray Science Experiments (PM)
- MXAN: Three Dimensional Structures for Metal Sites in Condensed Phases and in Catalysts
- Multi-Scale Structural Biology
Other Activities
- Satellite Event: Arrilaga Science Center (ASC) Bio Lab Tour & Open House (4:30-6:00 PM)
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 Carbajo, SLAC National Accelerator National Laboratory
Mark Hunter, SLAC National Accelerator National Laboratory
Ray Sierra, SLAC National Accelerator National Laboratory - Program:
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:
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)
- Program:
| 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)
- Organizers: Peter Walter (LCLS), Georgi L. Dakovski (LCLS)
- Program:
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.
