5–8 Jun 2023
US/Eastern timezone

Single crystal data processing for direct geometry chopper spectrometers

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

TimeSpeakerTitle
8:30-8:50 

Arrival and welcome

Light refreshments will be provided 

8:50-9:00R. Hermann,  
MSTD ORNL
Opening address and charge
9:00-9:30C. Marianetti, ColumbiaThe scattering function from first-principles via irreducible derivatives:  self-consistent perturbation theory and molecular dynamics
9:30-10:00Y. Cheng,   
NScD ORNL
Simulation of inelastic neutron scattering spectra and data-driven predictions
10:00-10:30D. Reznik,   
U Colorado
New software for rapid INS data analysis workflow under development at the University of Colorado
10:30-10:50Coffee Break 
10:50-11:20K. Plumb, BrownQuantum order-by-disorder and magnetic phase competition in a frustrated FCC lattice antiferromagnet
11:20-11:50A. Christianson, MSTD ORNLTopological and quantum features of the Heisenberg honeycomb lattice
11:50-12:20B. Li, Iowa StateModeling and simulation of single-crystal spin-waves data measured using direct-geometry spectrometers
12:20-13:50Working lunchPoster session
13:50-14:20C. Bernal,  
CalTech
Vibrational properties from inelastic neutron scattering: the user experience
14:20-14:50G. Sala,  
STS ORNL
A new approach to the background analysis for DGS single crystal data
14:50-15:20H. Smith, SwarthmoreLowering the barrier to single crystal experiment and analysis.
15:20-15:40Coffee break 
15:40-16:10A. Savici,  
NScD ORNL
Data reduction updates for single crystal DGS experiments
16:10-16:40C. Hoffmann,  
NScD ORNL
Single crystal data processing in multi-dimensional space
16:40-17:10G. Granroth,  
NScD ORNL
Leveraging Mantid multidimensional workspaces for enhanced views of data
17:10-17:30M. Mourigal, GaTechSummary and adjourn