Preliminary Program

Sunday, June 16

JOEL BERNSTEIN MEMORIAL SYMPOSIUM (Sponsored by Crystal Pharmatech)

Location: Grand Hall, NYU Global Center, 238 Thompson (near the corner of West 4th and Thompson)

ICCOSS XXIV Participants must register separately for the Memorial Symposium here.

13:00 - 14:00 Memorial Symposium Registration and Welcome Brunch
14:00 - 14:30 Bruce Foxman (Brandeis University, USA)
Title: “Joel Bernstein - Mentor, Educator, Friend and Genius: A Great Scientist For All Seasons and Reasons”
14:40 - 15:10 Susan Reutzel-Edens (Eli Lilly, USA)
Title: “Facts and Fictions about Polymorphism”
15:45 - 16:15 Craig Eckhardt (University of Nebraska, USA)
Title: “Mr. Bernstein and Me: Reflections and Scattered Observations”
16:25 - 16:55 Pance Naumov (New York University Abu Dhabi, United Arab Emirates)
Title: “The Man who Inspired Many of Us”
17:00 - 18:30 Reception (with light dinner and beverages)

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ICCOSS XXIV 2019

SESSION S1: CONFERENCE OPENING Location: Grand Hall, NYU Global Center, same location as the Bernstein Symposium

18:00    ICCOSS Registration desk open
19:00 - 19:15   Opening remarks Mike Ward (New York University, USA)
19:15 - 19:45 Bruce Foxman (Brandeis University, USA)
Title: ICCOSS Past, Present and Future
19:45 - 20:30   Michael J. McBride (Yale University, USA)
Title: “Where do we come from?  Who are we?  Where are we going?”  
20:30   Dinner on your own in NYC

Monday, June 17

Location: All weekday lectures will be held at the Center for Genomics and Systems Biology, 12 Waverly Place

08:00 - 08:30   Registration desk open, Continental Breakfast, Center for Genomics and Systems Biology, 12 Waverly Place
08:30 - 08:40   Welcome remarks Bart Kahr (New York University, USA)

SESSION M1: CRYSTALS THAT MOVE

08:40 - 09:00   Chair Overview: Pance Naumov (New York University Abu Dhabi, United Arab Emirates)
09:00 - 09:40    Lecture M1: C. Malla Reddy (IISER Kolkota, India)
                            Title: “Designer Mechanical Properties: Strength from Weakness”
09:40 - 10:20    Lecture M2: Jack Clegg, (University of Queensland, Australia)
                            Title: On the Origin of the Restoring Force in Flexible Crystals
10:20 - 11:10   Coffee Break
11:10 - 11:50  Lecture M3: Shotaro Hayashi (National Defense Academy, Japan)
                          Title: Elastic Organic Crystals of π-Conjugated Molecules
11:50 - 12:30   Lecture M4: Hajime Ito (Hokkaido University, Japan)
                          Title: “Mechanical and Optical Response of Gold(I) Isocyanide Crystals”
12:30 - 12:50  Lecture M5: Jeremiah Gassensmith (University of Texas at Dallas, USA)
                            Title: “Toward Organic Molecular Crystal Machines “
12:50 -14:00    Lunch (on your own)

SESSION M2: CRYSTALS IN COMPUTERS

14:00 - 14:20   Chair Overview: Aurora Cruz-Cabeza (University of Manchester, United Kingdom)
14:20 - 15:00   Lecture M6: Alexandre Tkatchenko (University of Luxembourg, Luxembourg)
                            Title: “Reliable and Practical Computational Prediction of Molecular Crystal Polymorphs”
15:00 - 15:40  Lecture M7: Noa Marom (Carnegie Mellon University, USA)
                            Title: “Property-Based Genetic Algorithm Optimization of Molecular Crystals for High Carrier Mobility”
15:40 - 16:00   Coffee Break
16:00 - 16:40   Lecture M8: Jerome Delhommelle (University of North Dakota, USA)
                            Title: “A combined Machine Learning-Molecular Simulation Approach for the Nucleation and Growth of Molecular Crystals”
16:40 - 17:20   Lecture M9: Marcus Neumann (Avante Garde Materials Simulations, Germany)
                            Title: “How Many Ritonavir Cases Are Still Out There?”
17:20 - 17:40    Lecture M10: Carolyn P. Brock (University of Kentucky, USA)
                            Title: “Pervasive approximate symmetry in P1 and high-Z’ organic crystals”
17:40 - 18:00 Lecture M11: Ghazala Sadiq (CCDC, United Kingdom)
Title: “How Good Is My Solid Form? Understanding polymorphism using hydrogen bond propensities”
18:00 - 19:30   Poster Session A (odd numbers) and Exhibition, Hemmerdinger Hall, Silver Arts Center
19:30                  Dinner (on your own)

Tuesday, June 18

08:00 - 08:30   Continental Breakfast, Center for Genomics and Systems Biology,12 Waverly Place

SESSION T1: CRYSTALS THAT GROW

08:30 - 08:50   Chair Overview: Yves Geertz (Université de Bruxelles, Belgium)
08:50 - 09:30  Lecture T1: Vilmali López-Mejias (University of Puerto Rico, Rio Piedras)
                            Title: “Polymorph Control in Solid Dispersions”
09:30 - 10:10  Lecture T2: Boris Rybtchinski (Weizmann Institute of Science, Israel)
                            Title: “How Organic Molecules and Proteins Crystallize: EM Imaging of Order Evolution”
10:10 - 10:40   Coffee Break
10:40 - 11:20  Lecture T3: Ying Diao (University of Illinois, Urbana-Champaign, USA)
                            Title: “Cooperative Polymorph Transition for Shape Memory Electronics”
11:20 - 12:00   Lecture T4: Mark Ediger (University of Wisconsin, USA)
                            Title: “Vapor-Deposited Glasses as Hybrid Organic Solids: Combining Anisotropy with Macroscopic Homogeneity”
12:00 - 12:20   Lecture T5: Kevin J. Roberts (University of Leeds, United Kingdom)
                            Title: “The Crystallisation Structural Pathway of Para amino Benzoic acid: From Solvated Molecule through Solute Clustering and Nucleation to the Growth of Facetted Crystals”
12:20 -12:40    Lecture T6: Ulrich Griesser (University of Innsbruck, Austria)
                            Title: “Solid State Forms of Agrochemicals – Incidence, Significance and Challenges “
12:40 - 13:00   Group Photo (Location TBA, weather-dependent)
13:00 - 14:00 Lunch (on your own)

SESSION T2: CRYSTALS AS DEVICES

14:00 - 14:20   Chair Overview: Yves Geertz (Université de Bruxelles, Belgium)
14:20 - 15:00   Lecture T7: Oana Jurchescu (Wake Forest University, USA)
                            Title: “Charge Injection and Transport in Organic Field-Effect Transistors”
15:00 - 15:40   Lecture T8: Josef Michl (University of Colorado, Boulder, USA)
                            Title: “Porphene- a Heterocyclic Analog of Graphene”
15:40 - 16:10   Coffee Break
16:10 - 16:50   Lecture T9: Daniel Frisbie (University of Minnesota, USA)
                            Title: “Imaging Defects and Electronic Disorder in Organic Semiconductors”
16:50 - 17:30   Lecture T10: Stephanie Lee (Stevens Institute of Technology, USA)
                            Title: “Nanoconfinement as a Strategy to Optimize Light Harvesting Crystals”
17:30 - 17:50   Lecture T11: Lucia Maini (University of Bologna, Italy)
                            Title: “High magnetic field induces higher crystallinity of 2,3-thien(bis)oimide ended oligothiophene phases and permits the detection of an elusive polymorph”
18:00 - 19:30   Poster Session B (even numbers) and Exhibition, Hemmerdinger Hall, Silver Arts Center
19:30                 Dinner (on your own)
20:00 Advisory Board Dinner

Wednesday, June 19

08:00 - 08:30   Continental Breakfast, Center for Genomics and Systems Biology, 12 Waverly Place

SESSION W1: CRYSTALS IN MEDICINE & NATURE

08:30 - 08:50   Chair Overview: Susan Reutzel-Edens (Eli Lilly and Company, USA)
08:50 - 09:30   Lecture W1: Matteo Salvalaglio (University College London, United Kingdom)
                            Title: “Computational Finite-Temperature Screening of Predicted Crystal Energy Landscapes”
09:30 - 10:10   Lecture W2: Qiang Zhu (University of Nevada, Las Vegas, USA)
                            Title: “Crystal Structure Prediction: from Code Development to Applications”
10:10 - 10:40   Coffee Break
10:40 - 11:20   Lecture W3 (CrystEngComm Lectureship): Doris Braun (University of Innsbruck, Austria)
                            Title: “Understanding Hydrate Formation in Molecular Drug Compounds”
11:20 - 12:00   Lecture W4: Benjamin Palmer (Weizmann Institute of Science, Israel)
                            Title: “Optically Functional Organic Crystals in the Mirrored Eyes of Animals”
12:00 - 12:20   Lecture W5: Calvin Sun (University of Minnesota, USA)
                            Title: “Flexible Pharmaceutical Crystals”
12:20 - 12:40   Lecture W6: Alessandra Mattei (AbbVie, USA)
                            Title: “Solid Form Development for Poorly Soluble Compounds that Require Enabling Formulations”
12:40 - 14:00   Lunch (on your own)

SESSION W2: CRYSTALS AND THE COMMUNITY

14:00 - 14:10 Session Moderator: Milko van der Boom (Weizmann Institute of Science, Israel)
14:15 - 14:45 Lecture W7: Toru Asahi (Waseda University, Japan) 
Title: “Career Design Programs for Diamond Researchers in Solid State Sciences”
14:45 - 15:15 Lecture W8: Adam Pivovar (Cooley LLP, USA)
Title: "Crystals as Intellectual Property”
15:15 - 15:45 Lecture W9: Sonali McDermid (New York University, USA)
Title: “Convening in the Anthropocene: Environmental Considerations of Conference Travel in the 21st Century”
15:45 - 16:15 Lecture W10: Jessica Wade (Imperial College, UK) 
Title: “Women and Wikipedia”
16:15 - 16:45 Lecture W11: Jason Benedict (University at Buffalo, USA)
Title: “Crystals and Kids”
16:45 - Q&A All Speakers

Thursday, June 20

08:00 - 08:30   Continental Breakfast, Center for Genomics and Systems Biology, 12 Waverly Place

SESSION TH1 CRYSTALS AND LIGHT

08:30 - 08:50   Chair Overview: Christopher Bardeen (UC Riverside, USA)
08:50 - 09:30   Lecture Th1: Seiya Kobatake (Osaka City University, Japan)
                            Title: “Unusual Photomechanical Behavior of Photochromic Diarylethene Crystals”
09:30 - 10:10   Lecture Th2: Michael Wasielewski (Northwestern University, USA)
                            Title: “Singlet Fission in Organic Semiconductors: A Path to Enhanced Solar Cell Efficiencies”
10:10 - 10:40  Coffee Break
10:40 - 11:20   Lecture Th3: Stefan Meskers (Eindhoven University, Netherlands)
                            Title: “Reflection of Light by Crystals: The Contribution from Polaritons”
11:20 - 12:00    Lecture Th4: T. P. Radhakrishnan (University of Hyderabad, India)
                            Title: “Functional Molecular Phase Change Materials with Fluorescence Signature”
12:00 - 12:20  Lecture Th5: Daichi Kitagawa
                            Title: “Effect of Illumination Conditions on Photomechanical Response of Diarylethene Crystals “
12:20 - 12:40  Lecture Th6: Elizabeth Elacqua (Pennsylvania State University, USA)
                            Title: “Toward Functionalized Single-Crystalline Carbon Nanothreads through Non-Topochemical Polymerization”
12:40 - 14:00    Lunch (on your own)

SESSION TH2: CRYSTALS IN 2D

Note change in this session (June 18, 2019)

14:00 - 14:20   Chair Overview: Karl Ernst (EMPA, Switzerland)
14:20 - 15:00   Lecture Th7: Torsten Fritz (University of Jena, Germany)
                            Title: “Epitaxy without coincidences – the stabilizing role of static distortion waves”
15:00 - 15:40   Lecture Th8: Yoshito Tobe (Osaka University, Japan)
                            Title: “Stereoselective Epitaxial Growth of Multilayer Porous Molecular Networks at the Liquid/Solid Interfaces”
15:40 - 16:10   Coffee Break
16:10 - 16:50   Lecture Th9: Katherine Mirica (Dartmouth University, USA)
                            Title: “Self-Assembled 2D Materials for Electrically-Transduced Chemical Sensing and Capture”
16:50 - 17:30   Lecture Th10: Andrew Gellman (Carnegie Mellon University, USA)
                            Title: “Enantioselective Adsorption and Chemistry on Naturally Chiral Metal Surfaces”
18:30                  Conference Dinner

Friday, June 21

08:00 - 08:30   Continental Breakfast, Center for Genomics and Systems Biology, 12 Waverly Place

SESSION F1: CRYSTALS WITH HOLES

08:30 - 08:50   Chair Overview: Travis Holman (Georgetown University, USA)
08:50 - 09:30   Lecture F1: Michal Lahav (Weizmann Institute of Science, Israel)
                            Title: “Crystals Made in Israel: Uniformity, Chirality and Colors”
09:30 - 10:10   Lecture F2: Len Barbour (Stellenbosch University, South Africa)
                            Title: “Structural Flexibility in the Solid State – Implications for Porous Materials”
10:10 - 10:30 Lecture F3: Yael Diskin-Posner (Wiezmann Institute of Science, Israel)
Title: “Photochemistry in nanocontainers “
10:30 - 10:50   Coffee Break
10:50 - 11:30  Lecture F4: Braulio Rodriguez-Molina (Institute of Chemistry-UNAM, Mexico)
                            Title: “Molecular Motion in Crystalline Fluorescent Rotors”
11:30 - 12:10   Lecture F5: Mark Hollingsworth (Kansas State University, USA)
                            Title: “Phase Transitions in Organic Inclusion Compounds”
12:10 - 12:50   Lecture F6: Juan Manuel Garcia-Ruiz (University of Granada, Spain)
                            Title: “The Crystal and the Rose: The Impact of Crystals and Crystallography on Art and Science”
12:50 - 13:00   Closing Remarks - Mike Ward

WORKSHOP

Advanced Techniques on X-Ray Powder Diffraction: Silver Arts Center, Room 1003 (Pre-registration required)

13:10 - 14:00 Workshop Check-In (Pizza lunch provided)
14:00 - 14:15 Overview: Tony Hu (New York University, USA)
14:15 - 14:45 Module 1: Nathan Henderson (Bruker, USA)
Title: “Defining Instrument Functions with DIFFRAC.TOPAS”
14:45 - 15:15 Module 2: Peter Stephens (Stony Brook University, USA)
Title: “Some Subtle Problems Solved with TOPAS”
15:15 - 15:30 Coffee Break, Silver Center, Room 1001P
15:30 - 16:00 Module 3: Graciela Diaz de Delgado (Universidad de Los Andes, VE)
Title: “Introduction to the Use of the PDF-4 Database of ICDD”
16:00 - 16:30 Module 4: Bob He (Bruker, USA)
Title: “Recent Advances in Two-dimensional X-Ray Diffraction"
16:30 - 17:00 Module 5: Roundtable Discussions and Consultations