With the expected start of LCLS-II experiments at SLAC in the near future, increased demand for theoretical simulations to aid in the interpretation and validation of a rapidly growing body of experimental data is anticipated. Both the magnitude and complexity of data emerging from end stations exploiting the high repetition rate, increased X-ray coherence and unprecedented time-resolution capabilities at LCLS-II present unique challenges for simulation and theory. This workshop will bring together leading theoretical and experimental groups to discuss recent efforts aimed at meeting these challenges through the development of numerical techniques, data-driven approaches and workflow tools for X-ray spectroscopy simulations. The emphasis of the workshop is on user-oriented solutions towards enabling wide-spread dissemination and deployment of simulation tools within the user community.

Organizer:

Das Pemmaraju,   SLAC National Accelerator Laboratory/LCLS

• The session presentations will be broadcast through a Zoom webinar which can be accessed by the 'Join Broadcast' button that will be accessible on this page at the start of the 8:00am session.
• The 12:25pm Q&A and wrap up discussion will be broadcast through a Zoom meeting (link below) to promote interaction between the audience and speakers.

Agenda:

8:00 AM      Workshop opening remarks  Das Pemmaraju- SLAC National Accelerator Laboratory/LCLS

8:05 AM      Multiscale simulation method for ultrafast electron-ion dynamics in dielectrics  Kazuhiro Yabana- University of Tsukuba

8:35 AM      Monitoring the passage through conical intersections by vibronic coherence in stimulated Raman measurements with XFEL pulses  Shaul Mukamel- University of California Irvine

9:05 AM      Adequacy of damped dynamics to the electron-ion problem and applications to non-equilibrium systems  Alfredo Correa - Lawrence Livermore National Laboratory

9:35 AM     BREAK

9:45 AM      Machine Learning Identification of Local Environments from X-ray Absorption Spectra  Shyue Ping Ong- University of California San Diego

10:15 AM     Machine learning insights on X-ray absorption spectroscopy  Linda Hung- TOYOTA Research Institute

10:45 AM    BREAK

10:55 AM     Numerical algorithms for x-ray spectroscopies in strongly correlated materials Chunjing Jia- Stanford University/SLAC National Accelerator Laboratory

11:25 AM     Advanced methods for theoretical spectroscopy using FEFF10 and Corvus  Josh Kas- University of Washington

11:55 AM     Predictive X-ray Spectra with the OCEAN code  John Vinson- National Institute of Standards and Technology

12:25 PM    Discussion and Q&A session moderated by Das Pemmaraju- SLAC National Accelerator Laboratory/LCLS Click here to join the Q&A - Passcode 100620