Sunday
2:00 pm - 9:00 pm
Arrival and Check-in
6:00 pm - 7:00 pm
Dinner
7:30 pm - 7:40 pm
Introductory Comments by GRC Staff / Welcome and Introduction from the Chairs
7:40 pm - 9:30 pm
Keynote Session: AI Tools for Crystal Design
Discussion Leader: Sarah (Sally) Price (University College London, United Kingdom)
7:40 pm - 8:25 pm
Omar Yaghi (UC Berkeley, United States)
"Reticular Chemistry with ChatGPT"
8:25 pm - 8:35 pm
Discussion
8:35 pm - 9:20 pm
Graeme Day (University of Southampton, United Kingdom)
"Digitally Navigating the Crystal-Chemical Space of Molecular Organic Crystals"
9:20 pm - 9:30 pm
Discussion
Monday
7:30 am - 8:30 am
Breakfast
9:00 am - 12:30 pm
Structure, Function and Morphology in Bonded Crystalline Frameworks
Discussion Leader: Katherine Mirica (Dartmouth College, United States)
9:00 am - 9:35 am
Shuhei Furukawa (Kyoto University, Japan)
"Polyhedlite: Packing of Metal-Organic Polyhedra into Porous Materials"
9:35 am - 9:45 am
Discussion
9:45 am - 10:20 am
Cory Simon (Oregon State University, United States)
"Multi-Fidelity Bayesian Optimization of Covalent Organic Frameworks for Xenon/Krypton Separations"
10:20 am - 10:30 am
Discussion
10:30 am - 11:00 am
Coffee Break
11:00 am - 11:35 am
Hoi Ri Moon (Ewha Womans University, South Korea)
"Strategic Approaches to Developing Melt-Quenched Carboxylate-Based MOF Glasses"
11:35 am - 11:45 am
Discussion
11:45 am - 12:20 pm
Rocio Semino (Sorbonne University, PHENIX Laboratory, France)
"Synthesis of Metal-Organic Frameworks from a Molecular Simulation and Data Science Perspective"
12:20 pm - 12:30 pm
Discussion
12:30 pm - 1:30 pm
Lunch
1:30 pm - 4:00 pm
Free Time
3:00 pm - 4:00 pm
The GRC Power Hour™
The GRC Power Hour™ is designed to address diversity and inclusion in the scientific workplace by providing a safe environment for informal and meaningful conversations amongst colleagues of all career stages. The program supports the professional growth of all members of our communities, including ethnicity, race and/or gender identity by providing an open forum for discussion and mentoring.
Organizer: Ivana Brekalo (Ruder Boskovic Institute, Croatia)
4:00 pm - 6:00 pm
Poster Session
6:00 pm - 7:00 pm
Dinner
7:30 pm - 9:30 pm
Pharmaceutical Crystals in the Digital Age
Discussion Leader: Elena Simone (Politecnico di Torino, Italy)
7:30 pm - 8:00 pm
Jan Gerit Brandenburg (Merck KGaA, Darmstadt, Germany)
"Digital Chemistry for Materials Engineering: Bridging Physics and AI in Large-Scale Industry Applications"
8:00 pm - 8:10 pm
Discussion
8:10 pm - 8:40 pm
Michael Probert (Newcastle University, United Kingdom)
"Towards Real World Predictive Crystallization Statistics"
8:40 pm - 8:50 pm
Discussion
8:50 pm - 9:20 pm
Vilmali Lopez-Mejias (Amgen, Inc., United States) and Mohammad Bonakdar (Amgen, United States)
"Digitalization of Form Discovery in Industry"
9:20 pm - 9:30 pm
Discussion
Tuesday
7:30 am - 8:30 am
Breakfast
9:00 am - 12:30 pm
Forefronts of Crystal Structure Prediction and Crystal Property Prediction
Discussion Leader: Gregory Beran (University of California Riverside, United States)
9:00 am - 9:35 am
Noa Marom (Carnegie Mellon University, United States)
"Structure Prediction and Discovery of Molecular Crystals with Enhanced Electronic Properties"
9:35 am - 9:45 am
Discussion
9:45 am - 10:20 am
Lyndon Emsley (Ecole Polytechnique Fédérale de Lausanne (EPFL), Switzerland)
"Crystal Structure Determination from Large-Scale Computation of NMR Chemical Shifts"
10:20 am - 10:30 am
Discussion
10:30 am - 11:00 am
Coffee Break
11:00 am - 11:35 am
Erin Johnson (Dalhousie University, Canada)
"Crystal Structure Prediction and Quantitative Matching to Experimental Powder Diffractograms"
11:35 am - 11:45 am
Discussion
11:45 am - 12:20 pm
Claire Adjiman (Imperial College London, United Kingdom)
"Engineering Crystals: From Structure Prediction to Product and Process Design"
12:20 pm - 12:30 pm
Discussion
12:30 pm - 1:30 pm
Lunch
1:30 pm - 4:00 pm
Free Time
4:00 pm - 6:00 pm
Poster Session
6:00 pm - 7:00 pm
Dinner
7:30 pm - 9:30 pm
Bonding Modes in Crystals
Discussion Leader: Kathryn Preuss (University of Guelph, Canada)
7:30 pm - 8:00 pm
Jennifer Swift (Georgetown University, United States)
"Synthetic and Biogenic Forms of Uric Acid"
8:00 pm - 8:10 pm
Discussion
8:10 pm - 8:40 pm
Yuriy Abramov (J-Star Research and Porton USA, United States)
"Is It Salt, Cocrystal or Continuum? Successes and Limitations of Efficient Periodic System Calculations"
8:40 pm - 8:50 pm
Discussion
8:50 pm - 9:20 pm
Delia Haynes (Stellenbosch University, South Africa)
"Salt vs. Co-Crystal: Experimental Conditions, Selectivity and Crystal Quality"
9:20 pm - 9:30 pm
Discussion
Wednesday
7:30 am - 8:30 am
Breakfast
8:30 am - 9:00 am
Group Photo
9:00 am - 12:30 pm
Organic Crystals: Fragile Curiosities or New Functional Materials
Discussion Leader: Travis Holman (Georgetown University, United States)
9:00 am - 9:35 am
Nicholas White (Australian National University, Australia)
"Amidinium Carboxylate Frameworks: Shaky or Stable? Dynamic or Static?"
9:35 am - 9:45 am
Discussion
9:45 am - 10:20 am
Christian Doonan (The University of Adelaide, Australia)
"Biological Applications of Robust Hydrogen-Bonded Organic Frameworks"
10:20 am - 10:30 am
Discussion
10:30 am - 11:00 am
Coffee Break
11:00 am - 11:35 am
Patricia Horcajada (IMDEA Energy Institute, Spain)
"Metal Organic Frameworks: The Holy Grail in Water Purification?"
11:35 am - 11:45 am
Discussion
11:45 am - 12:20 pm
Jeremiah Gassensmith (UT Dallas, United States)
"Organic Crystals in Medicine and Machines"
12:20 pm - 12:30 pm
Discussion
12:30 pm - 1:30 pm
Lunch
1:30 pm - 4:00 pm
Free Time
4:00 pm - 6:00 pm
Poster Session
6:00 pm - 7:00 pm
Dinner
7:30 pm - 9:30 pm
Crystal Complexity
Discussion Leader: Len MacGillivray (Universite de Sherbrooke, Canada)
7:30 pm - 8:00 pm
Kristin Hutchins (University of Missouri, United States)
"Dynamic Organic Solid-State Materials Achieved Using Motion, Temperature, and Mixed Environments"
8:00 pm - 8:10 pm
Discussion
8:10 pm - 8:40 pm
Renana Poranne (Technion, Israel)
"Exploring the Chemical Space of Polycyclic Aromatic Systems"
8:40 pm - 8:50 pm
Discussion
8:50 pm - 9:20 pm
Franziska Emmerling (Federal Institute for Materials Research and Testing (BAM), Germany)
"Progress and Challenges in Understanding the Mechanisms of Mechanically Flexible Crystals"
9:20 pm - 9:30 pm
Discussion
Thursday
7:30 am - 8:30 am
Breakfast
8:30 am - 9:00 am
Business Meeting
Nominations for the Next Vice Chair(s); Complete the GRC Evaluation Forms; Election of the Next Vice Chair(s)
9:00 am - 12:30 pm
AI and Crystal Design
Discussion Leader: Sharmarke Mohamed (Khalifa University of Science and Technology, United Arab Emirates)
9:00 am - 9:35 am
Jake Smith (Microsoft Research, United States)
"Evolving Discovery Processes with Artificial Intelligence"
9:35 am - 9:45 am
Discussion
9:45 am - 10:20 am
Mohamed Eddaoudi (King Abdullah University of Science and Technology, Saudi Arabia)
"Reticular Chemistry: MOF Design Strategies to Applications"
10:20 am - 10:30 am
Discussion
10:30 am - 11:00 am
Coffee Break
11:00 am - 11:35 am
Christopher Wilmer (University of Pittsburgh, United States)
"Theoretical Limits of Gas Adsorption in Porous Materials"
11:35 am - 11:45 am
Discussion
11:45 am - 11:55 am
Austin Cheng (University of Toronto, Canada)
"Organic Crystal Structure Prediction with Diffusion Models"
11:55 am - 12:00 pm
Discussion
12:00 pm - 12:10 pm
Michaela Loveless (Indiana University, United States)
"Generative Models of Cationic Dyes for Photon Upconversion in Fluorescent Crystals"
12:10 pm - 12:15 pm
Discussion
12:15 pm - 12:25 pm
Peter Spackman (Curtin University, Australia)
"Removing Needles from the Haystack: Automated Crystal Shape Comparison, Optimization, and Extraction from Images"
12:25 pm - 12:30 pm
Discussion
12:30 pm - 1:30 pm
Lunch
1:30 pm - 4:00 pm
Free Time
4:00 pm - 6:00 pm
Poster Session
6:00 pm - 7:00 pm
Dinner
7:30 pm - 9:30 pm
Keynote Session: Large Language Models, Psuedomaterials and Emerging AI Methods
Discussion Leader: Mihails Arhangelskis (University of Warsaw, Poland)
7:30 pm - 8:15 pm
Brian Smith (Bucknell University, United States)
"Crystallization of 3D Covalent Organic Frameworks (COFS) and Small Molecule Analogs"
8:15 pm - 8:30 pm
Discussion
8:30 pm - 9:15 pm
Berend Smit (Ecole Polytechnique Federale de Lausanne (EPFL), Switzerland)
"Big Data in Nanoporous Materials: Science Beyond Understanding"
9:15 pm - 9:30 pm
Discussion
Friday
7:30 am - 8:30 am
Breakfast
9:00 am
Departure