21-24 October 2019
Spallation Neutron Source
US/Eastern timezone

Agenda

3rd US School on Total Scattering Analysis

October 21-24, 2019
Spallation Neutron Source, Building 8600

Agenda as of October 18, 2019

Monday, Oct 21, 2019 - Iran Thomas Auditorium

8:30 am – Registration, Spallation Neutron Source (SNS) Bldg, 8600, Lobby

9:00 am – Welcome, Matt Tucker, ORNL

9:15 am – Introduction to Total Scattering, Thomas Proffen, ORNL

10:00 am – Big surprises from the small box: PDF endeavors in nanostructured materials - Emil Bozin, Brookhaven National Lab

10:30 am – Coffee Break

11:00 am – RMCProfile as a data-fusion framework for determining nanoscale atomic order – Igor Levin, NIST

11:30 am – Building complex and decorated nanoparticles with DISCUS - Reinhard Neder, University Erlangen-Germany

12:00 pm –  Working Lunch - “Iterative refinement of structural modeling for 2D and layered materials” - Hsiu-Wen Wang, ORNL

1:00 pm – Fourier Transforms are Not Magic: How We Make Your PDF, Daniel Olds, BNL

1:45 pm – X-ray Total Scattering Instrumentation, Milinda Abeykoon, BNL

2:15 pm – PDFgetX3 Demonstration, NSLS-II Staff

2:45 pm – Neutron Total Scattering Instrumentation, Katharine Page, UTK & ORNL 

3:15 pm – ADDIE Demonstration, Marshall McDonnell, ORNL

3:45 pm –  Coffee Break

4:15 pm – Students: 1-Minute Poster Introductions

5:30-6:15 pm – Poster Set-up

6:15 pm – Poster Session & Dinner, SNS, Atrium & C150-C156

8:30 pm – Adjourn

(7:00-7:30 pm – Even numbered posters presented/7:30-8:00 pm Odd numbered posters presented)

Tuesday, Oct 22, 2019 - C-156, AG-06, AG-07 

9:00 - 5:00 pm – Parallel hands-on sessions: PDFGui/RMCProfile/DISCUS

10:00 - 10:30 am – Group Photo & Coffee Break

10:30 - 12:00 pm – Hands-on Part 1

12:00 - 1:00 pm – Working Lunch - PDF refinements with TOPAS - Jue Liu

1:00 - 3:00 pm – Hands-on Part 2

2:30 - 3:30 pm – Optional tour of SNS

3:00 - 3:30 pm – Coffee Break

3:30 - 5:00 pm – Hands-on Part 3

5:00 - 7:00 pm – Dinner: Talks by Postdocs & Students of ORNL. “Structure-mining an automated tool to find candidate structures” (Long Yang), “Real space modelling at the intersection of large- and small-box methods” (Peter Metz), “Metal Oxide Decorated Porous Carbons from Controlled Calcination of a Metal-Organic Framework”(Greg Day), "In situ Low-temperature Pair Distribution Function (PDF) Analysis and Molecular Dynamics Simulations of CH4 and CO2Hydrates" (Bernadette Cladek). (C150, C156)

7:00 pm- Adjourn

Wednesday, Oct 23, 2019 - C-156, AG-06, AG-07

9:00 - 5:00 pm – Parallel hands-on sessions: PDFGui/RMCProfile/DISCUS

10:00 - 10:30 am – Coffee Break

10:30 - 12:00 pm – Hands-on Part 1

12:00 - 1:00 pm – Working Lunch - Studying Glass & Liquids with total scattering –  Joerg Neuefeind 

1:00 - 3:00 pm – Hands-on Part 2

2:30 - 3:30 pm – Optional tour of SNS

3:00 - 3:30 pm – Coffee Break

3:30 - 5:00 pm – Hands-on Part 3

5:30 pm – Depart ORNL Guest House for dinner

6:15 pm - 8:30 pm – Off-site Dinner Sponsored by Shull Wollan

Thursday, Oct 24, 2019 - C-156, AG-06, AG-07

9:00 - 5:00 pm – Parallel hands-on sessions: PDFGui/RMCProfile/DISCUS

10:00 - 10:30 am – Coffee Break

10:30 - 12:00 pm – Hands-on Part 1

12:00 - 1:00 pm – Working Lunch - DiffPy-CMI - Robert Koch

1:00 - 3:00 pm – Hands-on Part 2

2:30 - 3:30 pm – Optional tour of SNS

3:00 - 3:30 pm – Coffee Break

3:30 - 5:00 pm – Hands-on Part 3

5:00 - 7:00 pm – Dinner, "How to write a Proposal", SNS, C150-C156 -Kate Page

7:00 pm – Adjourn

Friday, Oct 25, 2019  

Pittsburg Diffraction Conference (separate registration required)

We plan to prepare workshop materials in the format of Dropbox folder for distribution to each registered participant and forming the starting point of online tutorials for diffuse scattering and PDF analysis.