TOPAS School

“Structure Determination and Refinement”

Bruker is pleased to announce a TOPAS School with hands-on training to be held from 17-19 May 2023, at ICDD Headquarters, Newtown Square, Pennsylvania.

The primary topic of the school is to teach participants the operation of TOPAS for structure determination and refinement from powder diffraction data. Participants should be familiar with the basics of crystal structure analysis. Previous knowledge of TOPAS is not required but is an advantage.

Training contents:

  • Indexing using the Least-Squares Indexing (LSI) method
  • Pawley and Le Bail refinements
  • Ab-initio structure determination using Global Optimization
  • Structure refinement using the Rietveld and Two-Stage methods
  • Use of (laboratory and synchrotron) X-ray data and neutron data
  • Introduction to pair distribution function (PDF) analysis

Note: Bring your up-to-date laptop to perform exercises in the hands-on sessions. You must have Win10 (64bit) or Win11 (64bit) installed, administrator rights, and functioning WLAN and USB ports. TOPAS V7 and temporary licenses will be made available onsite. If you don’t want to bring a laptop, or if your laptop does not fulfill the requirements, you may follow the exercises on the main screen.

Bruker Logo
Dates: 17-19 May 2023
Location: ICDD Headquarters
12 Campus Blvd, Newtown Square, PA, USA
Organizers & Instructors:
Arnt Kern
, Bruker AXS, DE
Scott Misture, Alfred University, USA
Nathan Henderson, Bruker AXS, USA
Tom Blanton, ICDD, USA

TOPAS (TOtal Pattern Analysis Solution)

TOPAS is a profile fitting based software for quantitative phase analysis, microstructure analysis, and crystal structure analysis.

Wednesday, 17 May 2023

12:00 – 13:00 Check in
12:00 – 13:00 Lunch Break
13:00 – 13:10 Welcome
13:10 – 14:00 Introduction to TOPAS
14:00 – 14:30 Origin and description of Bragg peak profiles
14:30 – 15:00 Coffee break
15:00 – 15:30 Introduction to Least-Squares Indexing
15:30 – 17:00 Exercises
17:00 – 17:30 Introduction to Pawley and Le Bail methods
17:30 – 18:00 Exercises
18:00 – 19:00 Reception at ICDD

Thursday, 18 May 2023

09:00 – 10:00 Introduction to structure determination and refinement
10:00 – 10:30 Model building
10:30 – 11:00 Coffee break
11:00 – 12:30 Structure determination (Global Optimization, exercises – part 1)
12:30 – 13:30 Lunch break
13:30 – 15:30 Structure determination (Global Optimization, exercises – part 2)
15:30 – 16:00 Coffee break
16:00 – 18:00 Structure determination (Global Optimization, exercises – part 3)

Friday, 19 May 2023

09:00 – 10:30 Structure refinement (Rietveld and Two-Step methods, exercises)
10:30 – 11:00 Coffee break
11:00 – 12:30 Introduction to pair distribution function analysis (demonstrations only)
12:30 – 12:40 Closing Remarks
Dates: 17-19 May 2023
Location: ICDD Headquarters
12 Campus Blvd, Newtown Square, PA, USA
Registration:
Early – by 13 April 2023 – $400
14 April – 12 May 2023 – $500
Student Registration:
Early – by 13 April 2023 – $200
14 April – 12 May 2023 – $250

Registration will close after 12 May 2023.
There will not be onsite registration

 

All participants must complete the 2023 ICDD Event Health Waiver in order to participate.

A block of rooms is reserved for Topas School participants at the:
Best Western Plus Concordville Hotel • Route 322 & 1, Concordville, PA 19331
Tel:
(610) 358-9400 • Fax: (610) 358-9381 • www.brandywinehotels.com

The special ICDD rate is $129.00 (plus 11% tax) USD and includes daily complimentary breakfast and daily transportation to and from ICDD. To make your reservation in the Topas School room block, please follow the link below or call the Best Western Plus Concordville Hotel directly at (610)358-9400, ext. 0, and mention that you are with the Bruker Topas School (ICDD) group. Travel and accommodations are not included in the registration fee.

HOTEL RESERVATIONS

The deadline for reservations is 16 April 2023. You will not be guaranteed a room after that time. Please check with the hotel for their room cancellation policy.

Please note: If you are staying at the host hotel but did not book within our room block, you could be held responsible for your own transportation.

The Best Western Plus Concordville Hotel and Kevin Smith Transportation will both be providing daily round-trip transportation between the hotel and ICDD

If you book your room outside of the ICDD room block, you could be held responsible for your own daily transportation. More information about transportation will be sent out to registered attendees closer to the start date.

Recommended Transportation from airport to hotel:
Ace Limousine & Airport Service – advance reservations required
www.acelimosvce.com • 610-494-6545

ICDD Headquarters is approximately a 20-minute drive from The Best Western Concordville Hotel.

PPXRD-17 Logo

The TOPAS School precedes the 17th Pharmaceutical Powder X-ray Diffraction Symposium (PPXRD-17), 21-24 May 2023, also held at ICDD HQ.
Don’t miss the unique opportunity to join both meetings!

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