Progress in Crystal Engineering - Design, Properties, and Function

Attendants are encouraged to provide an oral presentation or a poster at the workshop.Â

The deadline for abstract notification: 2nd June 2017

The deadline for registration: 25th August 2017Â

The purpose of the workshop is to bring together the best scientists from the United Arab Emirates (UAE) and synchrotron experts and see how the most strategic fields for the UAEÂ can be addressed through synchrotron science. UAE scientists will include both national and non-national speakers. International top synchrotron experts will give a talk at the event.

One of the main points will be to understand what the requirements of the UAE scientists are in terms of synchrotron research (what types of beamlines, techniques, etc.). Once these are defined, we will try to understand what would be the best option in terms of costs and benefits for the UAE.

We are happy to announce VI-th National Crystallographic Symposium (NCS2016) that will be held on October 05-07, 2016, Sofia, Bulgaria.

As you may have already recognized this is will be the sixth "NCS" of the series started in 2009.

We have already started the preparation of the next issue of the conference (submitted manuscripts will be published in the journal “Bulgarian Chemical Communications”, a special issues due April 2017).NCS16 papers will also be online available in full text via the present platform.  You are warmly invited to come and join us!

NCS2016 is held under the auspices of BCS and is the major event on Crystallography, crystal growth, structure analyses and related techniques in Bulgaria. The Symposium aims at the applications of different crystallographic techniques in combination with other methods in the fields of materials sciences, mineralogy, biology, environmental engineering, computational methods etc. Bringing together researchers from different areas NCS16 will provide them with a high-qualified platform for them to share their latest studies and to assist further findings and collaboration.

With passionate participants from the world, NCS2016 Â would be perfect for you to present your research and find collaboration for your future work.

Advancing the Design of Crystals

Functional Cocrystals

Plenary lectures

G. R. Desiraju: From molecule to crystal

Ron Lifshitz: What is a crystal? - New answers to an old question

Keynote lectures

Alessia Bacchi: Crystal engineering and structural chemistry: function through design_1

Robert Mokaya: Inorganic Materials and Industry Minerals

Alejsandro Buschiatto:

Colin Groom: Crystallography data bases

Gilberto Artioli: Inorganic Materials and Mining Industry

Ashwini Nangia: Crystal engineering and structural chemistry: function through design_2

Preliminary List of Topics

The latest advances in methodology and applications of charge densities:

• advances in data analysis
• understanding dynamics of atoms and structures
• progress in using large scale facilities
• charge densities in crystal engineering
• charge densities in materials science
• charge densities and electron diffraction
• charge densities in life sciences
• charge densities at extreme conditions
• charge densities beyond single crystal approach
• physical applications of charge densities
• charge densities of inorganic materials and minerals
• compute or/and measure?
• charge densities towards classical structural analysis
• methods beyond charge densities

Serependipity vs Prediction

The next Indaba, the eighth in a series of interdisciplinary workshops is organized by the South African Crystallographic Society in conjunction with the Structural Chemistry Commission of the International Union of Crystallography.

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The discovery of processes, novel molecular compounds and materials with exciting properties is often to a large extent based on serendipity but in other cases on the careful observation and interpretation of experimental data. In the latter, classical models and approaches derived from qualitative molecular orbital theory, methods based on parameters related to donor-acceptor strengths or empirical concepts based on geometric and steric effects may be employed. Following these discoveries, it is then quite general that a subsequent thorough analysis of experimental data such as state-of-the-art spectroscopy, magnetism, thermodynamic properties and/or detailed mechanistic information and electronic structure calculations is performed to 'fully' understand as many aspects thereof as possible.

As a result, new models and theories may emerge, possibly leading to rules concerning how the relevant properties of the process or the new class of compounds may be predicted and be improved. There are also examples where novel types of compounds or novel mechanistic ideas have emerged from theoretical studies or from a close collaboration between theoretically oriented individuals with experimentalists.

This has often led to the development of efficient models for the design and interpretation of experiments, based on some understanding of intra- and intermolecular interactions or processes.

Indaba 8 is dedicated to the discussion of Serendipity vs (first-principle) Prediction of scientific phenomena related to structure, dynamics, activity and function of molecular and other materials and processes. The scientific sessions will include invited keynote lectures, a small number contributed oral presentations as well as poster sessions spanning Theory and Molecular Modeling, Crystallography, Crystal Engineering, Materials, Supramolecular Chemistry, Organometallics, Biochemistry, Biology and other relevant fields. In the Poster sessions, a number of poster presenters will also be invited to present their work orally in 'Flash' presentations of 2-3 min each.

Participation is unrestricted except for a limitation on the numbers due to the nature of the venue which can accommodate only 120 delegates. Preference will be given to presenters of original research and to students and postdoctoral associates.

A limited number of IUCr-sponsored bursaries will be available for students and other young scientists, who are invited to apply for support, preferably by e-mail, with the recommendation of a supervisor or a senior colleague, to the Secretariat ([email protected]). A preliminary Registration including a presentation title and abstract must first be submitted and your invoice number should be quoted on all correspondence. Any support granted will be conditional on the acceptance by the Organising Committee of the abstract submitted by the delegate (see Submission of Abstracts). The cut-off date for applications is 30 April 2015, but early application and submission of abstracts are encouraged for those delegates seeking support.

Modeling, measuring and controlling crystal shape

The course will be divided into five different topics, held by experts in the field:

Molecular ModelingÂ
Prof. Michele Parrinello and Dr. Matteo SalvalaglioÂ
Università della Svizzera Italiana / ETH Zurich, Switzerland

Mechanistic Growth Models
Prof. Michael F. DohertyÂ
University of California Santa Barbara, USA

Population Balance Modeling Â
Prof. Marco MazzottiÂ
ETH Zurich, Switzerland

Monitoring Particle Size and Shape Â
Dr. Thomas VetterÂ
University of Manchester, UK

Optimization and Control of Crystallization Processes Â
Prof. Zoltan K. NagyÂ
Purdue University / University of Loughborough, USA / UK

The scientific program will cover all important issues related to Crystal Engineering.

In particular, the topics of the workshop will be organized around
the following themes:

• Computational Crystallography
• 2D CrystalEngineering
• Pharmaceutical Co-crystals
• Functional Crystals
• Supramolecular Crystallography
  
• Biomacromolecules
  
• Metal-Organic Frameworks (MOFs)
  
• Organic Crystals
  
• Inorganic Crystals
• Functional Crystals
• Industrial Crystallization
  
• Porous Crystals
• Liquid Crystals

The research focus of the 1st CSSB International Symposium will be on state-of-the-art systems biology approaches, embedded into complementary research directions such as structural biology and infection biology. It will feature top-class international research talks in five related scientific sessions and will end with a concluding session on future perspectives of the field. The symposium will be supported by the Joachim Herz Foundation.

Preliminary Programme

• Session 1: Areas in infection biology requiring system biology approaches
• Session 2: “Omics” in infection biology
• Session 3: Protein-Ligand interactions “at all levels”
• Session 4: Structural biology as a “high end” method in systems biology
• Session 5a: Modeling of experimental Omics data
• Session 5b: Biotechnical Applications of Systems Biology
• Session 6: Panel Discussion: What's next? Functional follow-up questions

The conference will cover research in all aspects of the chemistry and physics of organic solids, with lectures focused on the following topics:

• Crystallization Processes
• Polymorphism
• Crystal Engineering
• Pharmaceutical Materials
• Molecular Motions in Crystals
• Chemical Reactions in Organic Solids
• Biomaterials
• Crystal Structure Prediction
• Chirality in Organic Crystals
• Inclusion Compounds and Supramolecular Materials
• Mechanochemistry of Organic Solids
• Metal-organic Frameworks
• Nano-structured Organic Materials
• Organic Polymers
• Amorphous Organic Solids
• Liquid Crystals
• Optical, Electrical, and Magnetic Properties
• Industrial Applications of Organic Solids
• Experimental and Computational Techniques

Confirmed Speakers

• Joanna Aizenberg, Harvard University
• Kunio Awaga, Nagoya University
• Graeme M. Day, University of Southampton
• Robert Dinnebier, Max Planck Institute for Solid-State Research, Stuttgart
• Karl-Heinz Ernst, Swiss Federal Laboratories for Materials Science and Technology
• Tomislav Friscic, McGill University
• Makoto Fujita, University of Tokyo
• Miguel A. Garcia-Garibay, University of California, Los Angeles
• Kenneth D.M. Harris, Cardiff University
• Masahiro Irie, Rikkyo University
• Bart Kahr, New York University
• Yuji Ohashi, Tokyo Institute of Technology
• Masami Sakamoto, Chiba University
• Lian Yu, University of Wisconsin-Madison

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48th Crystallographic Course at Ettore Majorana Centre, Erice, Italy

X-ray crystallography is the pre-eminent technique for obtaining the three dimensional structures of organic materials. Understanding the translation of molecules to crystals and thought functional assembles is key if we want to be able to predict and control the assembly of matter with sufficient certainty and precision to allow preparation of materials and assemblies with far more sophisticated properties and functions than are accessible in materials synthesized using current methods. Great advances continue to be made in determining crystal structures, allowing the pace of structural understanding to increase and making it possible to respond rapidly to emerging opportunities in crystal and particle engineering. This course will help to equip the next generation of scientists with a deep understanding of the tools they need to prototype and engineer crystals to design materials with increasingly sophisticated properties.

The course has two core objectives. Firstly, it will provide a review of the fundamentals and the application of crystallography to molecule to crystal to functional form design together with an evaluation of the technology at the present state. Secondly, it will review the progress in this field and summarize the application and results to other fields of interest across speciality chemicals and other fields

Topics to be discussed include:
• Molecular Structure, Chirality, Crystallography and Crystal Chemistry
• Solution Supersaturation, Nucleation and Crystal Growth Fundamentals
• Defects, Reactivity and Mechanical Properties
• Molecular to Crystal Science Modelling Route Map
• Molecular and Solid-State Data Informatics
• Nano Particle Production and Dispersion
• Advanced Multi-scale Modelling
• Process Analytics and Crystal Characterisation
• Orientational Disordered Crystals and Liquid Crystals
• Reverse Engineering: Learning from Practice
• Forward Perspective: Grand Challenges in Directed Assembly

The total fee, inclusive of registration, boarding and lodging during the course, is 1,200 Euro for European Community residents and the equivalent in hard currency for the remaining ones.

In order to reflect the multi-disciplinary nature of the Course, attendants will be selected on the basis of the scientific discipline, publication record and the connection between their current research and the listed topics. The application date might also become a priority element. Financial support for young applicants (under 35 of age) is conditional to the success of the several applications submitted by the organizing committee to international and national sources.

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