Wednesday, Sept 26

Morning Plenary Session
Location: Panofsky Auditorium

Afternoon Parallel Workshops*

• Catalysis by Single Metal Atoms: What is all the fuss about?
• High-Pressure Materials, Energy, and Environmental Sciences using SSRL and LCLS
• LCLS-II Early Science - Part I
• Machine Learning for X-ray Science: From machine optimization to experimental planning

Exhibits in Trinity & Panofsky Hallway

Catalysis by Single Metal Atoms: What is all the fuss about?Location: Redwood Conference Rooms A/B

• There has been rapid growth in research on catalysis by supported single metal atoms. The interest stems from the highest achievable dispersion of the metal and the highly tunable metal-support interaction, giving single metal atoms unique catalytic properties. Within the class of supported single metal atom catalysts, there are distinct types of catalyst, for example: isolated atoms on a metal oxide support, isolated atoms on a second metal nanoparticle – the so-called single atom alloys, and supported molecular complexes possessing high structural uniformity. Synchrotron-based X-ray absorption and emission spectroscopies are critical to access the structural and chemical information of these materials due to the low metal content and the absence of long-range order. In this workshop, we will cover the current challenges and future prospects in this expanding field with focus on synchrotron-based characterization methods.
• Organizers:  S. Bare, A. Hoffman, A. Boubnov/SLAC SSRL

• Agenda (1:30-5:30 pm Redwood Conference Rooms A/B):

  13:30     Introduction, Simon R. Bare, SSRL

  Adam Hoffman, Session Chair

  13:40     Jingyue Liu, Arizona State University: “Anchoring and Localizing Single Metal Atoms for Better Catalysis”

  14:10     Ayman Karim, Virginia Tech University: “CO Oxidation on Supported Ir Single Atoms: Unusual Kinetics and the Role of XAFS in Identifying the Reaction Mechanism”

  14:40     Georgios Giannakakis, Tufts University (Maria Flytzani-Stephanopoulos group):  “"New horizons in catalytic reactions driven by single atoms in a variety of supports"

  15:00     Matteo Cargnello, Stanford University: “Conversion of supported Ru and Pd nanoparticles into single atom catalysts: similar processes, different consequences”

  15:30     Coffee Break (group photo)

  Alexey Boubnov, Session Chair

  15:50     Bruce Gates, UC Davis: “Beating Heterogeneity in Atomically Dispersed Supported Metal Catalysts”

  16:20     Charlie Sykes, Tufts University: “Single-Atom Alloy Catalysts: Born in a Vacuum, Verified in a Reactor, and Understood In Silico”

  16:50     Cody Wrasman, Stanford University (Matteo Cargnello group):  “Synthesis of colloidal dilute Pd/Au alloy nanocrystals and their potential for selective catalytic oxidations”

  17:10     Phil Christopher, UC Santa Barbara: “Approaches for controlling the local environment and reactivity of supported single atom catalysts”

  17:40     Abhaya Datye, Univ. New Mexico: "Thermally stable and regenerable single atom catalysts via atom trapping"

  18:10     Erjia Guan, UC Davis (Bruce Gates group): “Beyond atomically dispersed supported metal catalysts: pair-site catalysts”

  18:30     Discussion

High-Pressure Materials, Energy, and Environmental Sciences using SSRL and LCLSLocation: Kavli Auditorium

• Pressure is a clean variable that can impact materials structures and properties for many different purposes. In this half-day workshop, we will demonstrate some of the case studies in high-pressure materials, energy, and environmental sciences and the uniquely developed high-pressure opportunities at SSRL and LCLS.
• Organizers: Yu Lin (SLAC National Accelerator Laboratory), Hyunchae Cynn (Lawrence Livermore National Laboratory), Yongjae Lee (Yonsei University, Korea)

• Program:

  1:30 pm	Shock Compression at LCLS Jon Eggert, Lawrence Livermore National Laboratory
  2:00 pm	DACs 2018+: Enhanced Performance and New Capabilities William Evans, Lawrence Livermore National Laboratory
  2:30 pm	Hydrogen in the Deep Interiors of Earth and Exoplanets Sang-Heon Shim, Arizona State University
  3:00 pm	Break
  3:30 pm	High-Pressure Study at Stanford Wendy Mao, Stanford University
  4:00 pm	Five dimensional (x, y, z, energy, pressure) visualization of a pressure-induced phase transition at nanoscale Yijin Liu, SLAC National Accelerator Laboratory
  4:30 pm	Synergetic High-Pressure Studies at SLAC and PAL Yongjae Lee, Yonsei University

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LCLS-II Early Science: Part ILocation: Panofsky Auditorium

• This workshop will focus on early science opportunities for LCLS-II, specifically the instruments NEH 2.2 (q-RIXS, XPCS), and NEH 1.3 (XPP). Speakers will be invited to present ideas of the most compelling science that will exploit these instruments in the areas of coherent imaging and scattering, nonlinear X-ray science, high-resolution time-resolve spectroscopy near the Fourier-transform limit, and time-resolved spectroscopy and scattering in the tender X-ray regime. Brief overviews of the capabilities of the instruments will be provided, and the early science process for LCLS-II will be presented.
• Organizers: Roberto Alonso-Mori, Georgi Dakovski, David Fritz, Mike Minitti, Robert Schoenlein, Peter Walter, Diling Zhu (SLAC National Accelerator Laboratory)

• Program:

  1:30 pm	Introduction: LCLS-II "Eary Science" Robert Schoenlein, SLAC National Accelerator Laboratory
  1:40 pm	Overview of q-RIXS Instrument for LCLS-II Georgi Dakovski, SLAC National Accelerator Laboratory
  2:00 pm	Ultrafast dynamics of spin and orbital correlations in quantum materials: an energy- and momentum-resolved perspective Mark Dean, Brookhaven National Laboratory
  2:30 pm	Time-resolved Resonant Inelastic X-ray Scattering on Quantum Materials Thorsten Schmitt, Paul Scherrer Institute
  3:00 pm	Two-pulse X-ray Photon Correlation Spectroscopy - Path towards picosecond time scale fluctuation studies Sujoy Roy, Lawrence Berkeley National Laboratory
  3:30 pm	General discussion on q-RIXS (NEH2.2A) early science
  3:50 pm	Break
  4:05 pm	Overview of XPP Instrument for LCLS-II Diling Zhu, Roberto Alonso-Mori, SLAC National Accelerator Laboratory
  4:25 pm	Capturing Hidden Phases and Rare Events in Correlated Electron Systems Oleg Shpyrko, UC San Diego
  4:55 pm	X-ray Spectroscopic Studies of Biological and Chemical Catalysis in the Tender X-ray Regime - New Opportunities at LCLS-II Serena Debeer, Max-Planck-Institute for Chemical Energy Conversion
  5:25 pm	Explore, at the atomic level, the limitations of energy conversion in PV materials using time-resolved hard x-ray photoemission Hermann Dürr, Uppsala University
  5:50 pm	General discussion on XPP (NEH 1.3) and 25 keV early science

Machine Learning for X-ray Science:  From machine optimization to experimental planningLocation: Redwood Conference Rooms C/D

• Across the National user facilities Physicists, Chemists, Materials Scientists, Engineers and Computer Scientists are working collaboratively to adapt and develop machine learning (ML) tools to increase the efficiency of how x-rays are delivered and how science is performed at user facilities.  We propose to bring together researchers who are developing ML tools for delivering x-rays, building data analysis tools, and building artificial intelligence to design experiments.  The workshop will be designed to increase visibility and collaboration between researchers across these seemingly disparate topic areas.  Additionally, the workshop will have a secondary focus to introduce users to existing ML tools which have been developed to increase their efficiency at the user facilities, but for which they may not be aware exist.  This workshop would be followed by a broader 2-day workshop being planned in conjunction with Stanford to broadly explore how machine learning can be used to accelerate material science, with hands on demonstrations of how we can use existing data to build predictive models for future experiments.
• Organizers: C. Tassone, L. Schelhas, R. Coffee/SLAC
• Program:

26 September      Speakers

1:30-1:50 pm        Daniela Ushizima

1:50-2:10 pm        Alex Hexemer

2:10-2:30 pm        John Perkins

2:30-2:50 pm        Alexey Boubnov

2:50-3:10 pm        Kareem Hegazy

3:10-3:30 pm        Kyle Peterson

3:30-3:50 pm       Gregor Hartmann

3:50-4:10 pm        Franklin Fuller:  Gaussian Processes for new and old spectroscopic measurements in the low photon counting regime

4:10-5:10 pm        Discussion: Crafting a shared vision for ML for beamline science                     

27 September   Speakers

1:00-1:20 pm        Lenson Pellouchoud

1:20-1:40 pm        Gabriel Blaj

1:40-3:00 pm        Discussion: How do we organize labelled training data

3:00-3:25 pm        Group Photo & Break

3:25-3:45 pm        Abraham Stern

3:45-5:00 pm        Discussion: How do we share ML tools for our shared vision