Date: June 5, 2023
Location: ORNL cabin (meet at SNS building 8600 first for badging, check in, and carpooling)
The purpose of the workshop is to bring together users and instrumentation experts that utilize direct geometry chopper spectrometers for the analysis of single crystals and their dynamics, as well as experts in calculations and related crystallography problems. Existing solutions, problems, and future pathways will be discussed. Every participant is invited to submit a poster to foster discussions.
The workshop will result in a report, and we aim to record lectures and presentations, when speakers agree, in order to share them more broadly. The venue limits the number of participants to 28. Early registration is encouraged.
Agenda
| Time | Speaker | Title |
| 8:30-8:50 | Arrival and welcome Light refreshments will be provided | |
| 8:50-9:00 | R. Hermann, MSTD ORNL | Opening address and charge |
| 9:00-9:30 | C. Marianetti, Columbia | The scattering function from first-principles via irreducible derivatives: self-consistent perturbation theory and molecular dynamics |
| 9:30-10:00 | Y. Cheng, NScD ORNL | Simulation of inelastic neutron scattering spectra and data-driven predictions |
| 10:00-10:30 | D. Reznik, U Colorado | New software for rapid INS data analysis workflow under development at the University of Colorado |
| 10:30-10:50 | Coffee Break | |
| 10:50-11:20 | K. Plumb, Brown | Quantum order-by-disorder and magnetic phase competition in a frustrated FCC lattice antiferromagnet |
| 11:20-11:50 | A. Christianson, MSTD ORNL | Topological and quantum features of the Heisenberg honeycomb lattice |
| 11:50-12:20 | B. Li, Iowa State | Modeling and simulation of single-crystal spin-waves data measured using direct-geometry spectrometers |
| 12:20-13:50 | Working lunch | Poster session |
| 13:50-14:20 | C. Bernal, CalTech | Vibrational properties from inelastic neutron scattering: the user experience |
| 14:20-14:50 | G. Sala, STS ORNL | A new approach to the background analysis for DGS single crystal data |
| 14:50-15:20 | H. Smith, Swarthmore | Lowering the barrier to single crystal experiment and analysis. |
| 15:20-15:40 | Coffee break | |
| 15:40-16:10 | A. Savici, NScD ORNL | Data reduction updates for single crystal DGS experiments |
| 16:10-16:40 | C. Hoffmann, NScD ORNL | Single crystal data processing in multi-dimensional space |
| 16:40-17:10 | G. Granroth, NScD ORNL | Leveraging Mantid multidimensional workspaces for enhanced views of data |
| 17:10-17:30 | M. Mourigal, GaTech | Summary and adjourn |
