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NYU Diffraction Workshop
Department of Chemistry, New York University
October 24 and 25, 2012
The Workshop and its accompanying Master Class will span two days at New York University, with lectures and hands-on training on the state-of-the art single crystal and powder diffractometers. The Workshop will include lectures from various academic, government, and industrial organizations. Faculty, graduate students, postdocs, and industrial scientists are invited to register. Attendees are encouraged to bring samples of interest to the workshop for the hands-on training Master Class, and scientific problems to the Round-Table Discussion.
Aims
• Non-specialists can learn the basics of the X-ray diffraction and receive hands-on training on the operation of the instruments.
• Experts from similar or related areas can share their expertise and learn something new from each other.
Topics
• Basics on single crystal and powder diffraction and the instruments
• Crystallization, sample preparation
• Crystal engineering in small molecules and macromolecules
• Phase identification, and quantitative analysis, texture analysis, crystallite size measurement
• Applications of X-ray powder diffraction in pharmaceutical industry
• Synchrotron radiation
• Neutron diffraction
• Total scattering and atomic pair distribution function method
• X-ray fluorescence
Speakers and Instructors
• Mike Beauchaine, Bruker AXS, WI
• Simon Billinge, Columbia University/Brookhaven National Laboratory, NY
• Charles F. Campana, Bruker AXS, WI
• Eric Dooryhee, Brookhaven National Lab, NY
• Eleonora Del Federico, Pratt Institute, NY
• Bob Baoping He, Bruker AXS, WI
• Chunhua Tony Hu, New York University, NY
• Qi Jiang, New York University, NY
• Bart Kahr, New York University, NY
• Joseph W. Lauher, Stony Brook University, NY
• Nadrian Seeman, New York University, NY
• Robert E. Thorne, Cornell University, NY
• Xiaoping Wang, Oak Ridge National Laboratory, TN
• Michael D. Ward, New York University, NY
• Wenchang Xiao, New York University, NY
• Shawn Xiaotian Yin, Bristol-Myers Squibb, NJ
Three Sessions
• Oral Presentations in both mornings
• Round-Table Discussions in both afternoons
• Hands-On Training Master Classes in both afternoons
Prizes
• Two quiz prizes provided by Dr. Bob He of Bruker
• Two free single crystal datasets provided by the X-ray Diffraction Facility of NYU
Registration
• The number of attendees in the workshop for Lecture Sessions is limited to 40. So register early.
• The Hands-On Training Master Class component is limited to 10 persons for GADDS and 10 for APEXII.
• Registration fee is $50 if the payment check is received by October 16, 2012. After that, an additional $25 late fee will be applied.
• Please register by providing the following information to Tony Hu at chunhua.hu@nyu.edu:
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Full name:
Affiliation:
Group adviser (if any):
Email address:
Phone number:
Lectures Sessions: Yes/No?
Round-Table Discussion: Yes/No?
Hands-On Training Master Class for APEXII: Yes/No?
If yes, will you bring a single crystal sample for the Hands-On Training Master Class? (Maximum of one sample): Yes/No?
If yes, please describe the sample briefly:
Hands-On Training Master Class for GADDS: Yes/No?
If yes, will you bring a powder sample for the Hands-On Training Master Class? (Maximum of one sample): Yes/No?
If yes, please describe the sample briefly:
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Sponsors
• Department of Chemistry, New York University
• Materials Research Science and Engineering Center, New York University
• Bruker AXS
• Bristol-Myers Squibb
• Stoe & Cie GmbH
• MiTeGen
• ORNL
• CCDC
Location
The workshop will be held in the Silver Complex, on the east side of Washington Square Park. For directions to NYU and the Silver Complex go to http://www.nyu.edu/about/visitor-information/getting-to-nyu.html. Enter the Silver Complex at 32 Waverly Place, just east of the corner of Washington Square East and Waverly Place. You will need to present a photo ID to security, who will direct you to the 1003 Silver (10th floor). Drivers can park in the garage located at the Mercer Street.
Acknowledgement
We thank the support by the National Science Foundation under Award Numbers CRIF/CHE-0840277 and MRSEC/DMR-0820341.
Agenda
Day 1: Wednesday, Oct. 24, 2012, 9:00am-5:30pm |
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Lecture Sessions: Principles of Diffraction – Location: 1003 Silver Center |
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9:00am | Registration and Continental Breakfast |
9:25am | Michael Ward, NYU, Department of Chemistry, Chair: Welcome |
9:30am | Charles Campana, Bruker AXS: Single crystal diffraction and beyond |
10:05am | Simon Billinge, Columbia University/Brookhaven National Laboratory: Atomic structure at the nanoscale: from fuel cells to pharmaceuticals |
10:40am | Shawn Xiaotian Yin, Bristol-Myers Squibb: PXRD and its applications in the pharmaceutical industry |
11:15am | BREAK |
11:30am | Bob He, Bruker AXS: Recent advances and applications of two-dimensional XRD |
12:05pm | Eric Dooryhee, Brookhaven National Laboratory: X-ray powder diffraction opportunities at the new light source facility at Brookhaven National Laboratory |
12:40pm | Xiaoping Wang, Oak Ridge National Laboratory: Single crystal neutron diffraction |
1:15pm | Bob He, Bruker AXS: Prizes |
1:20pm | LUNCH at Murphy & Gonzalez, 21 Waverly Place |
Department Tour – Start in front of 1003 Silver Center |
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2:20pm | Guide: Chin Lin, Manager of the Shared Instrumentation Facility |
Round-Table Discussion – Location: 1003 Silver Center |
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3:00pm-5:20pm | Chair: Bob He Available Speakers: Simon Billinge, Charles Campana, Eric Dooryhee, Bob He, Joseph Lauher, Shawn Yin |
3:00pm-3:10pm | Eleonora Del Federico, Pratt Institute: In-situ, non-invasive XRF in cultural heritage research |
3:20pm-3:40pm | Mike Beauchaine, Bruker AXS: Review of applications for Total Reflection X-Ray Fluorescence (TXRF) for trace elemental analysis |
3:50pm-3:55pm | Gayatri Keskar, Yale University: Phase identification and quantitative analysis for multiphasic bismuth chalcogenides |
4:05pm-4:10pm | Joel De Jesus, City College of New York: Left and right side non-symmetries on the period of superlattice peaks and the variations on their intensities |
4:20pm-4:25pm | Zhiyi Chen, City College of New York: XRD characterization of topological insulators |
4:35pm-4:40pm | Tony Hu, NYU: Sample mounts for X-ray single crystal and powder diffraction |
Hands-On Training Master Classes – Location: 357 Brown Building |
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2:20pm-3:45pm | GADDS Group 1 – Instructor: Qi Jiang |
3:55pm-5:30pm | GADDS Group 2 – Instructor: Qi Jiang |
2:20pm-5:20pm | APEXII Group 1 – Instructor: Wenchang Xiao |
Group Photo – Meet in front of the fountain in Washington Square Park |
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5:30pm | All workshop participants gather for photo. |
Day 2: Thursday, October 25, 2012, 9:00am-5:30pm |
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Lecture Sessions: Special Topics on Crystallography – Location: 1003 Silver Center |
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9:00am | Registration and Continental Breakfast |
9:15am | Bart Kahr, NYU: Twisted crystals |
9:50am | Michael Ward, NYU: Examining crystal growth under nanoconfinement using X-ray diffraction |
10:25am |
Nadrian Seeman, NYU: Crystals, resolution and self-assembly |
11:00am | BREAK |
11:15am |
Joseph Lauher, Stony Brook University: Single crystal to single crystal topochemical polymerizations by design |
11:50am | Robert Thorne, Cornell University: Getting the most out of your crystallography pipeline |
12:25pm |
Tony Hu, NYU: Organizer's remarks |
12:30pm |
Robert Thorne, Cornell University: Radiation damage to protein crystals: temperature dependence, time dependence, and how to outrun it |
1:20pm | LUNCH at Murphy & Gonzalez, 21 Waverly Place |
Department Tour – Start in front of 1003 Silver Center |
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2:20pm | Guide: Ronald McLurkin, Instrumentation Specialist |
Round-Table Discussion – Location: 1003 Silver Center |
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3:00pm-5:20pm |
Chair: Bart Kahr Available Speakers: Bob He, Bart Kahr, Nadrian Seeman, Michael Ward, Shawn Yin |
3:00pm-3:05pm | Julian Silverman, City College of New York: Molecular self-assembly: low weight molecular gelators and spotaneous self-assembly |
3:15pm-3:20pm | Alexander Shtukenberg, NYU: Glass to crystal growth mode revealed for organic glass formers |
3:30pm-3:35pm | Stephanie Lee, NYU: Self-assembly of two-dimensional hydrogen-bonded networks on inorganic surfaces |
3:45pm-3:50pm | Tirunillayi S. Ananthanarayanan, Onsight Technology USA: Real time 2D XRD data collection for in situ materials nano-structure characterization |
Hands-On Training Master Classes – Location: 357 Brown Building |
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2:20pm-3:45pm | GADDS Group 3 – Instructor: Qi Jiang |
3:55pm-5:20pm | GADDS Group 4 – Instructor: Qi Jiang |
2:20pm-5:20pm | APEXII Group 2 – Instructor: Tony Hu |
5:30pm |
Wrap-Up |