From Big Data to Smart Data

Regenerative Engineering and Functional Materials Integration

Fundamental Aspects of Hydrogen Interaction with Materials and Novel Energy Applications

 Topics include:

• Physisorption
• Reaction mechanisms / pathways in complex hydrides
• Surface phenomena and finite size effects
• Novel high capacity hydrogen storage materials
• Transport phenomena in hydrides
• Hydrogen in energy storage applications
• Recent advances on hydrides based on metals and alloys
• Hydrogenation / dehydrogenation of hydride composites
• Novel methods and new characterization techniques (of hydrogen interaction)

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Enzymology: Innovations in Understanding and Impact in Application

Hydrogen: From Production to Applications

New Concepts and Methods in Enzymology: From Molecular Mechanisms to Industrial Applications

Bridging the Gap from Free Clusters to Functional Nanostructures

The fundamental properties of small particles, and their potential for groundbreaking applications, are among the most exciting areas of research in modern physics, chemistry, and biology. The 2015 Gordon Conference focuses on the intimate interplay between the properties of clusters over a wide size range and their translation into supported nanoparticles, so bridging the gap from free clusters to functional nanostructures.

The traditional interdisciplinary nature of this Conference will be preserved. Fundamental questions, such as cluster formation, geometric structure, electronic structure, magnetism, optical properties, chemical reactivity, and alloying in the gas phase will complement topics crucial to applications, such as cluster support interactions and functional behavior in catalysis, optical labeling, cluster assembled materials, nano-engineering, etc.

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Advances in Topological Phases of Matter in Crystalline Solids and Cold Atom Systems

The 27th meeting of the Polymer Physics Group provides an opportunity for researchers from both academia and industry to discuss the latest innovations in understanding and manipulating the physical behaviour of a wide range of polymeric systems.

Dr Lorna Dougan, University of Leeds, UK:Â Single molecule studies of proteins from extremophile organisms

Dr Ralf Everaers, ENS de Lyon, France:Â Topologically constrained polymers: From rubber elasticity to chromosome structure

Professor Kohzo Ito, University of Tokyo:Â Slide-ring materials with movable cross-links and entropy of rings

Professor Richard A. L. Jones, FRS, University of Sheffield, Founders' Prize Lecture:Â What drives macromolecules to move?

The First Meeting of the Latin American Crystallographic Association will be held in conjunction with the Twenty Second meeting of the Brazilian Crystallographic Association.

This meeting will be of great importance for the Latin American crystallographic Community. It will gather crystallographers from all the American countries as part of the LACA, that recently became a Regional Associate of the IUCr.

Apart from the scientific importance of this meeting, we foresee the beginning of a new, stronger relationship among all the crystallographers in the American continents. The meeting in São Paulo, Brazil, follows the pattern of the previous one in Córdoba, Argentina, and we expect a large number of participants from all countries.

Satellite meetings

September 08th, 2015
One-Day Pre-Congress Workshop on Powder Diffraction Databases and Applications at the Physics Institute of Campinas State University - UNICAMP, Campinas, SP

September 12th to 15th, 2015
2015 IUCr High-Pressure Workshop  at the LNLS/CNPEM
More information: Â http://cnpem.br/event/2015-iucr-high-pressure-workshop

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Over 5 days, you will get introduced to data acquisition, 3D reconstruction, segmentation and meshing and finally, 3D modelling of data to extract physical parameters describing flow or mechanical properties. Teaching and exercises will take place in close interaction with top experts in the field.

Topics

• Experimental methods and applications
  
• Volumetric reconstruction
• Segmentation techniques
• Flow simulation
• Mechanical modelling

Deadline for registration for the summer school is June 30th, 2015

ECMS 2015 will deal with mineralogy, spectroscopy and related fields of science, with a special focus on the interplay between short-range and long-range information to account for crystalline and amorphous materials physical properties.

The Conference will bring together both theoretically and experimentally oriented scientists, providing them with an opportunity to share ideas and learn from one another.

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.

The South West Structural Biology Consortium (SWSBC) was initiated by Prof. Jenny Littlechild and Prof. Leo Brady as a forum where Structural Biology groups in the South West of England could come together to present their research and network with each other.

Since that initial meeting in Exeter, the Consortium has expanded to include researchers interested in Structural Biology â€" including the Universities of Bath, Bristol, Cardiff, Exeter, Reading, Portsmouth, Southampton and Sussex â€" with an annual meeting moving between each of the cities.

Reactive Macromolecules

Session 1 Chair: Pete Wood (CCDC)

• Prof Jon Steed (University of Durham): Sliding Down the Supersaturation Gradient: Crystals, Gels, Drugs and Blue Ketchup
• Dr Valeska Ting (University of Bath): Engineering Nanoporous Materials for Applications in Energy
• Lunch

Session 2 Chair: Gareth Lloyd (Heriot-Watt University)

• Dr Ross Forgan (University of Glasgow): Enhancing the Synthesis, Crystallinity and Mechanical Stability of Metal-Organic Frameworks
• Dr Jonathan Burley (University of Nottingham): Miniaturised Solid Form Screening of Drugs
• Coffee and tea

Session 3 Chair: Lynne Thomas (University of Bath)

• Dr Kim Jelfs (Imperial College): Predicting Structure and Function in Porous Molecular Materials
  
• Prof Lee Brammer (University of Sheffield): Chemical Reactions and Dynamic Properties in Solids: Molecular Crystals to Framework Materials
• Closing

The brightness and energy of X-ray beams are critical properties for research. Higher brightness means more X-rays can be focused onto a smaller, laser-like spot, allowing researchers to gather more data in greater detail in less time. Higher energies enable X-rays to penetrate deeper inside materials, and through a variety of in situ environments, to reveal crucial information about a material’s structure and function. The combination of high brightness and high energy allows the observationâ€"in real timeâ€"of technologically important processes. Scientists in the light source community have been developing storage ring designs (multi-bend achromat, MBA, lattices) that push closer to the ultimate diffraction limit for X-ray sources. This emerging technology will provide orders-of-magnitude improvement in brightness and coherent flux, enabling transformational advances in imaging, in studies of dynamics, and in nanometer-resolution probes utilizing the full array of powerful Xâ€"ray contrast modes, from diffraction to spectroscopy.

This workshop is being held to explore the opportunities in high-energy (>20 keV) X-ray science that will be enabled when MBA technology is implemented. Specifically, this workshop seeks to accomplish the following goals:
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• Define the potential high-energy X-ray characteristics of an MBA low-emittance lattice.
• Provide a forum for discussion of new science opportunities offered for high-energy X-ray science by an MBA lattice.
• Address how the current suite of high-energy beamlines can be adapted to maximize the science opportunities, and what new capabilities are needed.
• Explore the technical advances in optics, detectors, and undulators that are required for high-energy X-ray science.

Confirmed Speakers

Simon Bare, UOP (Honeywell)
Yan Gao, General Electric
Sossina Haile, Northwestern University/California Institute of Technology
Joe Hupp, Northwestern University
Jennifer Jackson, California Institute of Technology
Hyunjung Kim, Sogang University, Korea
Antonio Lanzirotti, GSECARS, University of Chicago
Robert Leheny, Johns Hopkins University
Wenbin Lin, University of Chicago
Wendy Mao, Stanford University
Conal Murray, IBM
Henning Poulsen, Technical University of Denmark
Tony Rollett, Carnegie Mellon
Uta Ruett, Deutsches Elektronen-Synchrotron, Germany
Darrell Schlom, Cornell University
Oleg Shpyrko, University of California at San Diego
Matt Tirrell, University of Chicago
Peter Voorhees, Northwestern University
Mike Wasielewski, Northwestern University
Gayle Woloschak, Northwestern University