The workshop will span two and half days at the Department of Chemistry of New York University, with lectures, discussions, and hands-on trainings on crystallography, X-ray diffraction, crystallization and more. 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 Class, and scientific problems to the Round-Table Discussion.
- To promote crystallography, diffraction methods, and X-ray instruments and software
- To encourage the cooperation between NYU and other organizations
- To network researchers
- To introduce our X-Ray Facility, Department of Chemistry, and NYU
- To attract more users (Interested parties can find how to request services via here)
- To educate and train potential users
- Basics on X-ray diffraction and instruments
- Applications of X-ray diffraction in academics and industry
- Synchrotron radiation and its application
- Total X-ray scattering and pair distribution function
- Crystallization methods
- Polymorphism of industry products such as drugs and pesticides
- Structure solution and refinement using TOPAS
- Soham Banerjee, Columbia University, NY
- Eric Dooryhee, Brookhaven National Lab, NY
- Ulli Englert, RWTH Aachen University, Germany
- Bruce Garetz, New York University, NY
- Bob He, Bruker, WI
- Nathan Henderson, Bruker, WI
- Pascal Hofer, DECTRIS, PA
- Tony Hu, New York University, NY
- Bart Kahr, New York University, NY
- Qi Jiang, Boehringer Ingelheim, CT
- Saul Lapidus, Argonne National Laboratory, IL
- Michael McBride, Yale University, CT
- Justin Newman, Merck & Co., NJ
- Hyunsoo Park, Bristol-Myers Squibb, NJ
- Susan M. Reutzel-Edens, Eli Lilly, IN
- Melissa Tan, New York University, NY
- Michael Ward, New York University, NY
- Oral presentations
- Round-table discussion
- Hands-on training class of GADDS powder diffractometer
- TOPAS training class
Guests are advised to enter the Silver Complex at either 32 Waverly Place (just east of the corner of Washington Square East and Waverly Place) or 31 Washington Place (between Washington Square East and Greene Street). You will need to present a photo ID to security, who will direct you to the 1003 Silver (10th floor, click here for a map). Drivers can park in the garage located on the Mercer Street/Broadway.
Click here for the hotel discounts.
- Outdoor: NYC Weather
- Indoor: The temperature in the lecture room and X-ray lab is maintained at 72°F (22°C). It would be a good idea to bring a thin sweater or jacket.
- Quiz prizes provided by Prof. Dr. Bob He, who is the author of the monograph, Two-Dimensional X-Ray Diffraction, and MiTeGen.
- The number of attendees in the workshop for Lecture Sessions is limited to 50.
- Hands-On Training Class component is limited to 10 persons.
- TOPAS Training Class component is limited to 20 persons.
- Registration is free for attendees from sponsor orgainzations and for the first 30 registered students. For others, $100 fee will be applied. On-site registration is acceptable, but $250 fee will be applied if there is still a seat available.
Please contact Dr. Tony Hu
Jun. 26, 2018, Tuesday, 1:00pm-7:30pm
TOPAS Class - Location: 431 Waverly
1:00 pm - Sign In
1:30 pm - Nathan Henderson, Bruker: Lab XRD and TOPAS GUI/Launch Mode
2:00 pm - Saul Lapidus, Argonne National Laboratory: Synchrotron Radiation
2:30 pm - Nathan Henderson, Bruker: Whole Pattern Fitting
3:30 pm - Break & Individual Questions
4:00 pm - Saul Lapidus, Argonne National Laboratory: Indexing
5:00 pm - Nathan Henderson, Bruker: Structure Solutions by Charge Flipping
6:00 pm - Social Time & Individual Questions
7:30 pm - Adjourn
Jun. 27, 2018, Wednesday, 9:00am-5:30pm
Lecture Sessions: Principles of Crystallography and X-Ray Scattering – Location: 1003 Silver
9:00 am - Sign In and Continental Breakfast
9:25 am - Mike Ward, NYU: Welcome
9:30 am - Michael McBride, Yale University: How Diffraction Reveals Structure: Understanding Rosalind Franklin’s DNA
10:05 am - Ulli Englert, RWTH Aachen University: Good Practice on Single Crystal Diffraction
10:40 am - Bob He, Bruker: Recent Advances in Two-dimensional X-Ray Diffraction
11:15 am - Break
11:25 pm - Eric Dooryhee, Brookhaven National Lab: Powder Diffraction Opportunities at Brookhaven’s Light Source II
12:00 am - Soham Banerjee, Columbia University: Atomic pair distribution function (PDF) analysis of nanostructured and disordered materials
12:35 pm - Bob He, Bruker: Quiz Prizes
12:45 pm - Group photo in front of the fountain of Washington Square Park
1:00 pm - Lunch at Bareburger LaGuardia (535 LaGuardia Place)
Lecture Sessions: Applications of X-Ray Diffraction in Industry – Location: 1003 Silver
2:20 pm - Hyunsoo Park, Bristol-Myers Squibb: Small Molecule X-Ray Crystallography to Enable Molecules into Medicines
2:50 pm - Justin Newman, Merck & Co.: From Bench-Top to Synchrotron X-Ray Diffraction: Solid-State Chemistry at Merck Research Laboratories
3:20 pm - Brian Samas, Pfizer: The Science of Materials Sciences
3:50 pm - Break
4:00 pm - Susan Reutzel-Edens, Eli Lilly: The Renaissance of Crystallography in Small Molecule Drug Development
4:30 pm - Qi Jiang, Boehringer-Ingelheim: Two Dimensional X-Ray Diffraction (2D-XRD): Applications from Drug Substance to Drug Product
5:00 pm - Pascal Hofer, DECTRIS: How to Get More Out of Your X-Ray Diffraction Data
5:30 pm - Reception – Location: 120 Silver, Graduate Student Lounge
Jun. 28, 2018, Thursday, 9:00am-5:30pm
Lecture Sessions: Special Topics on Diffraction and Polymorphism – Location: 1003 Silver
9:00 am - Sign In and Continental Breakfast
9:30 am - Michael Ward, NYU: A Supramolecular Toolkit for Molecular Structure Determination
10:00 am - Bart Kahr, NYU: Materials Science of Contact Insecticides
10:30 am - Bruce Garetz, NYU: Dendritic Growth of Glycine in Agarose Gels by Laser-Induced Nucleation
11:00 am - Break
11:10 am - Bob He, Bruker: Using Single Crystal Diffractometers for Phase ID, Stress, Texture and Crystal Size Measurements
11:40 am - Alexander Shtukenberg, NYU: Exploring Polymorphism of Molecular Crystals Through Crystallization from the Melt
12:10 pm - Melissa Tan, NYU: Solving the Structure of ROY, Form R05 from Synchrotron X-Ray Powder Diffraction and Crystal Structure Prediction Methods
12:40 pm - Tony Hu, NYU: Remarks
Department Tour: – Start from 1003 Silver
12:45 pm - Guided by Chin Lin and Ronald McLurkin
1:00 pm - Lunch at White Oak Tavern (21 Waverly Place)
Round-Table Discussion: – Location: 1001P Silver
2:20 pm - 5:20 pm, Available Speakers: to be determined
Hands-On Training Classes: – Location: X-Ray Lab at 357 Brown Building
2:20 pm - 3:45 pm, Group 1 - Instructor: Tony Hu
3:55 pm - 5:20 pm, Group 2 - Instructor: Melissa Tan
5:30 pm - Adjourn
- Many thanks to the following companies and organizations! Without their generous donation, it would not be possible to run the workshop at all. If you are interested in their services or instruments, feel free to contact Dr. Tony Hu (ch98@nyu.edu). If your organization would like to sponsor the workshop, please contact Tony.
- Thank so much to all the speakers who are willing to take their precious time to contribtue.
- Thank to the administration at the NYU Department of Chemistry, especially to Julie Kaplan, who has done great work on logistics.
- Thank to all the attendees for coming. I hope that you all will learn something new and useful for your advertures in research, make new friends, and have a lot of fun in the workshop. Study harder, play harder, and be happier.
