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Crystal Engineering
Gordon Research Conference

Advancing the Design of Crystals

Dates

June 26 - July 1, 2016

Location

Stoweflake Conference Center
Stowe, VT

Organizers

Chair:
Adam Matzger

Vice Chair:
Len R. Macgillivray

Meeting Description

This event is the fourth GRC dedicated to crystal engineering following on from highly successful meetings in 2010, 2012 and 2014, each of which was attended by ~150 participants from around the world. This GRC will be accompanied by a Gordon Research Seminar (GRS) titled "Functional Cocrystals". The Gordon Research Seminar on Crystal Engineering is an excellent opportunity for graduate students, postdoctoral researchers and other scientists with similar levels of experience to gather and learn from each other and experts in the field. The GRC and the GRS will together provide a unique opportunity for participants to discuss the very latest trends and findings within this exciting and rapidly evolving area of science.

The vital role that a variety of crystalline materials play in a broad range of technologies is far from new. However, more recently the ability to control crystallization using principles of crystal engineering is rapidly evolving to the point where properties might be realized through design rather than serendipity. Nonetheless the rational design of crystalline solids is the exception rather than the rule with progress hindered by a limited toolbox containing interactions of rather limited reliability. As the boundaries of application are expanding, the deficiencies in our own understanding appear more severe. Progress in this area will take place at the intersection of organic, inorganic, materials, and physical chemistry and requires a unique interface of experimental and theoretical tools provided by academia and industry alike. The purpose of these two meetings is to bring together a wide range of experts with diverse backgrounds and will consist of the session topics noted below.

Related Meeting

This GRC was held in conjunction with the "Crystal Engineering" Gordon Research Seminar (GRS). Refer to the associated GRS program page for more information.

Contributors

Final Meeting Program

Sunday
2:00 pm - 9:00 pmArrival and Check-in
6:00 pmDinner
7:30 pm - 7:40 pmWelcome / Introductory Comments by GRC Site Staff
7:40 pm - 9:30 pmCrystal Growth
Discussion Leader: Delia Haynes (Stellenbosch University, South Africa)
7:40 pm - 8:20 pmBart Kahr (New York University, USA)
"Engineering Helicoidal Dichroism"
8:20 pm - 8:35 pmDiscussion
8:35 pm - 9:15 pmLara Estroff (Cornell University, USA)
"Bio-Inspired Single-Crystal Composites: Growth Mechanisms and Properties"
9:15 pm - 9:30 pmDiscussion
Monday
7:30 am - 8:30 amBreakfast
8:30 amGroup Photo
9:00 am - 12:30 pmCoordination Polymer Function
Discussion Leader: Nathaniel Rosi (University of Pittsburgh, USA)
9:00 am - 9:40 amMircea Dinca (Massachusetts Institute of Technology, USA)
"Small Molecule Reactivity and Catalysis Enabled by Cation Exchanges in MOFs"
9:40 am - 10:00 amDiscussion
10:00 am - 10:30 amCoffee Break
10:30 am - 11:10 amPingyun Feng (University of California, Riverside, USA)
"Metal-Organic Framework Materials for Exceptional CO2 Adsorption"
11:10 am - 11:30 amDiscussion
11:30 am - 12:10 pmBart Bueken (Centre for Surface Chemistry and Catalysis, KU Leuven, Belgium)
"Flexibility and Catalytic Activity in Ti and Zr MOFs"
12:10 pm - 12:30 pmDiscussion
12:30 pmLunch
1:30 pm - 4:00 pmFree Time
4:00 pm - 6:00 pmPoster Session
6:00 pmDinner
7:30 pm - 9:30 pmCrystal Engineering of Magnetic Interactions
Discussion Leader: Jeremy Feldblyum (Stanford University, USA)
7:30 pm - 8:10 pmKathryn Preuss (University of Guelph, Canada)
"Supramolecular Architectures Using Paramagnetic Thiazyl Ligands"
8:10 pm - 8:30 pmDiscussion
8:30 pm - 8:50 pmDouglas Genna (Youngstown State University, USA)
"Metal Organic Frameworks: Retrosynthesis, Intermolecular Interactions, and the Return of the Anion"
8:50 pm - 9:00 pmDiscussion
9:00 pm - 9:20 pmMario Wriedt (Clarkson University, USA)
"Metal-Organic Frameworks as Platforms for the Controlled Nanostructuring of Molecular Magnets"
9:20 pm - 9:30 pmDiscussion
Tuesday
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmStructure Prediction
Discussion Leader: Leslie Vogt (New York University, USA)
9:00 am - 9:40 amSally Price (University College London, United Kingdom)
"Is the Crystallisation of Pharmaceutical Molecules Controlled by Thermodynamics or Kinetics?"
9:40 am - 10:00 amDiscussion
10:00 am - 10:30 amCoffee Break
10:30 am - 11:10 amMark Tuckerman (New York University, USA)
"Free Energy Based Enhanced Sampling and Surface Navigation Approaches for the Prediction of Crystal Structures and Polymorphs"
11:10 am - 11:30 amDiscussion
11:30 am - 12:10 pmGregory Beran (University of California, Riverside, USA)
"Predicting Molecular Crystal Properties: From Finite-Temperature Thermochemistry to NMR Crystallography"
12:10 pm - 12:30 pmDiscussion
12:30 pmLunch
1:30 pm - 4:00 pmFree Time
4:00 pm - 6:00 pmPoster Session
6:00 pmDinner
7:30 pm - 9:30 pmCocrystal Engineering
Discussion Leader: Vilmali Lopez-Mejias (University of Puerto Rico, Río Piedras Campus, Puerto Rico)
7:30 pm - 8:10 pmWilliam Jones (University of Cambridge, United Kingdom)
"Cocrystals – Inside and Out"
8:10 pm - 8:30 pmDiscussion
8:30 pm - 9:10 pmChrister Aakeroy (Kansas State University, USA)
"From Supramolecular Synthons to Practical Applications of Crystal Engineering"
9:10 pm - 9:30 pmDiscussion
Wednesday
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmApplied Crystallization
Discussion Leader: Dejan-Kresimir Bucar (University College London, United Kingdom)
9:00 am - 9:40 amSusan Reutzel-Edens (Lilly Research Laboratories, Eli Lilly and Company, USA)
"Navigating the Waters of Unconventional Crystalline Hydrates"
9:40 am - 10:00 amDiscussion
10:00 am - 10:30 amCoffee Break
10:30 am - 11:10 amReginald Tan (National University of Singapore, Singapore)
"Co-Crystal Technologies – From Molecular to Process and Product Design"
11:10 am - 11:30 amDiscussion
11:30 am - 12:10 pmNarayan Variankaval (Merck Research Laboratories, USA)
"Serendipity in Crystallization: Implications in Drug Development"
12:10 pm - 12:30 pmDiscussion
12:30 pmLunch
1:30 pm - 4:00 pmFree Time
4:00 pm - 6:00 pmPoster Session
6:00 pmDinner
7:00 pm - 7:30 pmBusiness Meeting
Nominations for the Next Vice Chair; Fill in Conference Evaluation Forms; Discuss Future Site and Scheduling Preferences; Election of the Next Vice Chair
7:30 pm - 9:30 pmEngineering Guest Interactions in Coordination Polymers
Discussion Leader: Xianhui Bu (California State University, Long Beach, USA)
7:30 pm - 8:10 pmMakoto Fujita (University of Tokyo, Japan)
"Crystalline Sponge Method for Crystal-Free Crystallography: Applications to Synthetic and Pharmaceutical Studies"
8:10 pm - 8:30 pmDiscussion
8:30 pm - 9:10 pmMyoung Soo Lah (Ulsan National Institute of Science and Technology, South Korea)
"Topology Analysis of Metal-Organic Frameworks Based on Metal-Organic Polyhedra"
9:10 pm - 9:30 pmDiscussion
Thursday
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmAssembly
Discussion Leader: Radu Custelcean (Oak Ridge National Laboratory, USA)
9:00 am - 9:40 amTomislav Friscic (McGill University, Canada)
"A Renaissance of Solid-State Chemistry in Chemical Synthesis"
9:40 am - 10:00 amDiscussion
10:00 am - 10:30 amCoffee Break
10:30 am - 11:10 amLinda Shimizu (University of South Carolina, USA)
"Functional Crystalline Containers from Self-Assembled Bis-Urea Macrocycles"
11:10 am - 11:30 amDiscussion
11:30 am - 12:10 pmElias Vlieg (Radboud University Nijmegen, The Netherlands)
"2D Templates for Protein Crystallization"
12:10 pm - 12:30 pmDiscussion
12:30 pmLunch
1:30 pm - 4:00 pmFree Time
4:00 pm - 6:00 pmPoster Session
6:00 pmDinner
7:30 pm - 9:30 pmIonic Liquids as Crystallization Media
Discussion Leader: Jing Li (Rutgers University, USA)
7:30 pm - 8:10 pmRobin Rogers (McGill University, Canada)
"Are Ionic Liquids Unique Crystallization Media, or Just Another Pretty Liquid Solvent?"
8:10 pm - 8:30 pmDiscussion
8:30 pm - 9:10 pmAnja Mudring (Ames Laboratory / Iowa State University, USA)
"Ionic Liquids for Crystal Engineering"
9:10 pm - 9:30 pmDiscussion
Friday
7:30 am - 8:30 amBreakfast
9:00 amDeparture

The views, opinions, and/or findings contained in this report are those of the author(s) and should not be construed as an official Department of the Army position, policy, or decision, unless so designated by other documentation.
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