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0830- 0915 | |
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0940-1215 | |
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1345-1600 | |
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1645-1730 | |
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1735-1825 |
| MS-01 | Phase Transitions in Functional Inorganic Materials and Minerals |
| Co-Chairs | Pam Thomas, Kazumasa Sugiyama |
| Day and Time | Wednesday August 6, AM2 |
| Description | Phase Transitions in Functional Inorganic Materials and Minerals - All theoretical and practical aspects of phase transitions induced by external stimuli (temperature, pressure, electric and magnetic fields…) and their potential applications |
| Focus | Materials or Minerals |
| MS-02 | Recent Advances in Quasicrystal Research |
| Co-Chairs | An Pang Tsai, Janusz Wolny |
| Day and Time | Wednesday August 6, AM2 |
| Description | Covers all aspects of research on quasicrystals with emphasis on state-of-the-art experiment and theory and on new and "hot" results. Should have a broad scope, but should coordinate the speakers with the other sessions on aperiodic crystals. |
| Focus | Physical and/or Fundamental |
| MS-03 | Maximum Entropy in Crystallography |
| Co-Chairs | M. Takata, Sander Van Smaalen |
| Day and Time | Wednesday August 6, AM2 |
| Description | Should feature any application of MEM to crystallography & new developments are particularly encouraged. |
| Focus | Instrumentation, Techniques and/or Computation |
| MS-04 | Biophysical Characterization with Single Molecule Approaches |
| Co-Chairs | Xiao-Dong Su, David Hsiao Chwan-Deng |
| Day and Time | Wednesday August 6, AM2 |
| Description | This session will present recent methods for analysis of functions of macromolecules that can be applied in conjunction with structural studies, focusing on single-molecule techniques. |
| Focus | Biological Macromolecules |
| MS-05 | The Crystallography of HIV/AIDS |
| Co-Chairs | Alex Wlodawer, Wei Yang |
| Day and Time | Wednesday August 6, AM2 |
| Description | This session will highlight the major advances in understanding HIV replication, infection, and interactions with the human immune system provided by recent structures of HIV and human proteins and their complexes. |
| Focus | Biological Macromolecules |
| MS-06 | Time Resolved Spectroscopic Studies with Synchrotron Radiation and Free Electron Laser Sources |
| Co-Chairs | Federico Boscherini, Christian Bressler |
| Day and Time | Wednesday August 6, AM2 |
| Description | This MS will cover time resolved spectroscopic techniques at storage rings and FELs. Time-resolved XAFS experiments have taken up momentum at SRs and FELs and now offer time-resolution in the 100 fs time frame, which is of high relevance for many chemical systems. |
| Focus | XAFS |
| MS-07 | Extending the Power of Powder Diffraction for Structure Solution |
| Co-Chairs | Yaroslav Filinchuk, Radovan Cerny |
| Day and Time | Wednesday August 6, AM2 |
| Description | The MS will focus on structure solution of complex materials from high quality powder diffraction data, and on the assistance of other methods, both experimental and theoretical. |
| Focus | Materials or Minerals |
| MS-08 | Small Angle Scattering for Magnetism and Magnetic Structures |
| Co-Chairs | Andreas Michels, Joachim Kohlbrecher |
| Day and Time | Wednesday August 6, AM2 |
| Description | Scope: Small-angle neutron and X-ray scattering have a distinguished track record in the study of magnetism and magnetic structures. This session will focus on recent studies and opportunities for SAS. Topics will include ferrofluids, flux line lattices, superconductivity, skyrmions, application of neutron polarisation (incident and analysis). |
| Focus | Instrumentation, Techniques and/or Computation |
| MS-09 | In Situ Crystallography Under External Stimuli |
| Co-Chairs | Pierre Fertey, Dimitri Argyriou |
| Day and Time | Wednesday August 6, PM1 |
| Description | Xray and neutron scattering experiments under electric field, magnetic field or high pressure. |
| Focus | Physical and/or Fundamental |
| MS-10 | Chemistry and Physics of Modulated and Composite Crystals |
| Co-Chairs | Artem Abakumov, Carlos Basilio Pinheiro |
| Day and Time | Wednesday August 6, PM1 |
| Description | Structure as well as physical and chemical aspects of incommensurately modulated crystals and incommensurate composite crystals. Emphasis on results, interesting and novel structures, rather than methods. |
| Focus | Chemical Crystallography |
| MS-11 | Structure Determination from Low Resolution Data: When the Going Gets Tough |
| Co-Chairs | Ivana Evans, Anton Meden |
| Day and Time | Wednesday August 6, PM1 |
| Description | Low resolution diffraction data is often a practical reality and may be the only information available. Using such data has its own set of challenges to maintain chemical and structural reasonableness in what may be the only known structure for a particular compound. |
| Focus | Materials or Minerals |
| MS-12 | Crystallography and Physics of Low-dimensional Systems: Fullerenes, Carbon Nanotubes, Graphene, Topological Insulators and Superconductors |
| Co-Chairs | Boris Yakobson, Jean-Francois Halet |
| Day and Time | Wednesday August 6, PM1 |
| Description | Low-dimensional systems display a number of exciting physical phenomena and properties, the discovery of which has been honored with a number of recent Nobel Prizes and promise to revolutionary technological applications. Experimental and theoretical works reporting breakthroughs in our understanding of the world of low-dimensional materials will be presented in this symposium. |
| Focus | Physical and/or Fundamental |
| MS-13 | Protein-nucleic Acid Interactions |
| Co-Chairs | Haiwei Song |
| Day and Time | Wednesday August 6, PM1 |
| Description | This session will focus on complexes between proteins and DNA/RNA. Note that there are separate sessions on "Structural biology of transcriptional and translational control", "Post-translational modification", and "Chromatic and Epigenetics" so those subjects should be avoided. |
| Focus | Biological Macromolecules |
| MS-14 | Electronic Structure and Chemical Bond Information by High Energy Resolution X-ray Spectroscopy |
| Co-Chairs | Richard Strange, Pieter Glatzel |
| Day and Time | Wednesday August 6, PM1 |
| Description | RIXS and Hard X-ray emission spectroscopy (XES) provide information on electronic structure that is complementary to X-ray diffraction. They can identify ligands, determine the chemical state of the metal site and some ligands and are very sensitive to X-ray damage. XES unlike XAS does not require a monochromatic X-ray beam and is thus compatible with a diffraction setup. This property is particularly interesting for crystallography at X-ray free electron lasers. The MS will review the state of the art, introduce the technique, present recent experiments (also at LCLS) and discuss future applications. |
| Focus | XAFS |
| MS-15 | The Role of Defects in Crystal Structure Formation, Organization and Stability |
| Co-Chairs | Olga Yakubovich, Sergio Pereira |
| Day and Time | Wednesday August 6, PM1 |
| Description | Studies of isomorphous substitutions, atomic order/disorder at the long- and short-range level, real structures with defects and modulation, structural modularity (polytypism, polysomatism), growth twins, low crystallinity and disordered materials. |
| Focus | Materials or Minerals |
| MS-16 | Structural Immunology: Innate and Cellular Immunity |
| Co-Chairs | Gregers Rom Andersen, Hao Wu |
| Day and Time | Wednesday August 6, PM1 |
| Description | This session will present recent structures and associated functional studies of proteins involved in innate and cellular immunity, as well as complexes of these proteins with their targets. |
| Focus | Biological Macromolecules |
| MS-17 | High-pressure Crystallography of Periodic and Aperiodic Crystals |
| Co-Chairs | Vasily Minkov, Clivia Hejny |
| Day and Time | Thursday August 7, AM2 |
| Description | Topics: Polymorphism in molecular and inorganic solids, quasicrystals at high pressure, anisotropic compression mechanisms, incommensurate structures at high pressure, complex elemental structures, interatomic and intermolecular forces at high pressure, hydrogen bond transformations, Fermi surface nesting. |
| Focus | Physical and/or Fundamental |
| MS-18 | Magneto-structural Relationships in Molecular Compounds |
| Co-Chairs | Andrea Cornia, Barbara Sieklucka |
| Day and Time | Thursday August 7, AM2 |
| Description | Relations between structure and magnetic ordering / magnetic anisotropy in molecular magnets, using neutron diffraction (polarised or not) or combined Xray diffraction and HF-EPR or magnetometry measurements. Understanding magnetic interactions in molecular compounds (intra and inter-molecular interactions). |
| Focus | Physical and/or Fundamental |
| MS-19 | Computational Methods for Charge Density Studies |
| Co-Chairs | Claude E. P. Lecomte, Piero Macchi |
| Day and Time | Thursday August 7, AM2 |
| Description | New computational methods and approaches for charge density studies are especially desired. |
| Focus | Instrumentation, Techniques and/or Computation |
| MS-20 | Advances in X-ray FEL Coherent Scattering & Diffraction |
| Co-Chairs | Thomas Tschentscher, Changyong Song |
| Day and Time | Thursday August 7, AM2 |
| Description | Coherent scattering and imaging techniques, such as coherent diffractive imaging, including both results and technique development towards the eventual goal of single molecule imaging. |
| Focus | Physical and/or Fundamental |
| MS-21 | Post-translational Modification |
| Co-Chairs | Shuya Fukai, Ruiming Xu |
| Day and Time | Thursday August 7, AM2 |
| Description | This session will present structures and associated functional studies of proteins and complexes involved in post-translational modification and their targets, excluding "Chromatin and epigenetics". |
| Focus | Biological Macromolecules |
| MS-22 | Improving your Crystallography: Best Practices and New Methods |
| Co-Chairs | Z. Dauter, Maskai Yamamoto |
| Day and Time | Thursday August 7, AM2 |
| Description | This session will present foundations and recent advances in how to determine macromolecular structures, covering best practices for data collection, data analysis and structure determination. It can include how to choose what crystal to use, how to optimize data collection, how to collect the data, how to monitor and adjust data collection based on radiation damage, as well as new methods and algorithms for structure determination. |
| Focus | Biological Macromolecules |
| MS-23 | In-situ Studies of Electrochemical Conversion and Storage |
| Co-Chairs | Karena Chapman, Torbjörn Gustafsson |
| Day and Time | Thursday August 7, AM2 |
| Description | Focus on batteries and fuel-cell electrodes. |
| Focus | Materials or Minerals |
| MS-24 | New 3D Electron Diffraction Techniques and Their Potential for Structure Solution of Nano-and Micron Sized Crystals |
| Co-Chairs | Ute Kolb, Lukas Palatinus |
| Day and Time | Thursday August 7, AM2 |
| Description | The focus of this session will be new research such as three-dimensional tomographic imaging and three-dimensional diffraction to determine the atomic structure and defects in small systems. |
| Focus | Physical and/or Fundamental |
| MS-25 | Electron Density and Optical Properties of Materials |
| Co-Chairs | J. Cole, D. Jayatilaka, Simon Grabowsky |
| Day and Time | Thursday August 7, PM1 |
| Description | The derivation of optical properties of organic and organometallic materials from accurate electron density distribution measurements/calculations. |
| Focus | Physical and/or Fundamental |
| MS-26 | Commensurate and Incommensurate Multiferroics and Magnetoelectrics: Structure and Properties |
| Co-Chairs | Radoslaw Przenioslo , Hiroyuki Kimura |
| Day and Time | Thursday August 7, PM1 |
| Description | Progress in understanding the connection between crystal structures, commensurate or incommensurate magnetic structures and electrical polarisation or the the magnetoelectric tensor in these novel materials. |
| Focus | Physical and/or Fundamental |
| MS-27 | Advances in Experimental Techniques and Data Analysis for Science at Extreme Conditions at Synchrotron and Neutron Sources |
| Co-Chairs | S. Sinogeykin, Simon Redfern |
| Day and Time | Thursday August 7, PM1 |
| Description | Topics: Time-resolved experiments, dynamic compression, novel X-ray spectroscopy methods for high pressure experiments, novel crystallographic methods for structure determination at high pressure, multigrain analysis at high pressure, software for high pressure crystallography, pulse-laser heating in diamond anvil cell, new designs of devices for generation of high pressure, new techniques for in situ high pressure neutron diffraction, recent trends in large volume press instrumentation for synchrotron experiments, ultra-high-pressure experiments |
| Focus | Instrumentation, Techniques and/or Computation |
| MS-28 | Small-angle Scattering of Biological Macromolecules |
| Co-Chairs | Bente Vestegaard, Zehra Sayers |
| Day and Time | Thursday August 7, PM1 |
| Description | This session will present recent new methods and recent results for analysis of X-ray and neutron small-angle scattering data on biological macromolecules, including combined studies from crystallography and small-angle scattering. |
| Focus | Biological Macromolecules |
| MS-29 | Enzymes and Macromolecular Machines. Dedicated to Louis Delbaere |
| Co-Chairs | tbc |
| Day and Time | Thursday August 7, PM1 |
| Description | This session is dedicated to Louis Delbaere. This session will present recent structures and associated functions of enzyme, particularly focusing on structures of large macromolecular complexes that operate as molecular machines. |
| Focus | Biological Macromolecules |
| MS-30 | Data to Knowledge: How to Get Meaning from Your Result |
| Co-Chairs | Wladek Minor, J. D. Westbrook |
| Day and Time | Thursday August 7, PM1 |
| Description | Use of data base information to fully exploit the results of a new structure determination. The session will cover ways to find out if structural features in your structure have been seen before, ways to identify binding sites, active sites, ligands, ions and other features in your structure. |
| Focus | Biological Macromolecules |
| MS-31 | In-situ XRD: Parametric and Symmetry Constrained Refinement |
| Co-Chairs | Robert Dinnebier, John Evans |
| Day and Time | Thursday August 7, PM1 |
| Description | The MS will cover recent developments in methods aimed at increasing the useful content that can be extracted by Rietveld refinement. The development of parametric methods gives the possibility of constraining refinements to chemically or physically plausible solutions, and of directly refining non-crystallographic parameters. The addition of symmetry constraints further reduces the number of refined variables to increase the feasibility and precision of increasingly complex problems using powder diffraction data. |
| Focus | Materials or Minerals |
| MS-32 | Graphene and Similar Systems |
| Co-Chairs | Angus Kirkland, Chuanhong Jin |
| Day and Time | Thursday August 7, PM1 |
| Description | This microsymposium will cover different aspects of the atomic structure including defects in graphene and related systems such as MoS2 as analyzed by a range of crystallographic methods. |
| Focus | Physical and/or Fundamental |
| MS-33 | Symmetry Constraints in Magnetic Structure Determination: Experiment and Theory |
| Co-Chairs | Branton Campbell, Mois Ilia Aroyo |
| Day and Time | Friday August 8, AM2 |
| Description | The superspacegroup formalism and representation method particulized to the description of magnetic structures and investigations of phase transitions in periodic and aperiodic crystals. The role of syMaterials and Mineralsetry restrictions in the interpretation of experimental data. |
| Focus | Physical and/or Fundamental |
| MS-34 | Crystals and Beyond |
| Co-Chairs | S. I. Ben-Abraham, Jeong-Yup Lee |
| Day and Time | Friday August 8, AM2 |
| Description | The frontiers of crystallography and diffraction theory. What is a crystal - i.e. which structures give rise to Bragg peak diffraction? Which potentially interesting and useful structures do not? How do we deal with structures that lead to singular continuous diffraction? |
| Focus | Physical and/or Fundamental |
| MS-35 | Hydrogen Bonding as a Crystal Engineering Design Tool |
| Co-Chairs | Chick Wilson, Kumar Biradha |
| Day and Time | Friday August 8, AM2 |
| Description | Focus on hydrogen bonding within the context of crystal packing, with particular interest in crystal engineering. This session could also include work in charge density and neutron studies. |
| Focus | Chemical Crystallography |
| MS-36 | XFEL Macromolecular Crystallography |
| Co-Chairs | Gwyndaf Evans, Bill Weis |
| Day and Time | Friday August 8, AM2 |
| Description | Serial crystallography, both nano crystal and more conventional crystal dimensions, is a growing field at the LCLS and SACLA XFEL facilities, with a rapidly expanding user base. This MS will be dedicated to reporting structural biology studies performed at the XFEL sources, potentially including time resolved and novel phasing results in addition to normal 3D structures. |
| Focus | Biological Macromolecules |
| MS-37 | Structural Biology of Bacterial Secretion Systems |
| Co-Chairs | Konstantin Korotkov, Natalie Strydnaka |
| Day and Time | Friday August 8, AM2 |
| Description | This session will highlight recent structures of bacterial secretion systems and studies on their interactions with effectors and other proteins translocated through the secretion complexes. |
| Topic | Biological Macromolecules |
| MS-38 | X-Rays Techniques for Innovation in Industry |
| Co-Chairs | Krystyna Jablonska, Jeffrey Cutler |
| Day and Time | Friday August 8, AM2 |
| Description | Scientists have developed many advanced techniques with implementation of photons for materials characterisation which can be used for innovation in industry. Therefore, research with photons has contributed to the development of a wide variety of products such as plastics, cosmetics, chemicals, building materials, life science and even packaging materials. The synchrotron based X-ray absorption, diffraction, tomography and scattering due to very high source intensity, wide range of covered energy, polarity of radiation are helping in the solving a current research and development issues. The MS will present the examples of such studies performed for variety of industrial technological problems. |
| Focus | XAFS |
| MS-39 | Meso-and Nano-structures Developed via Heterogeneous Interfaces |
| Co-Chairs | Dietmar Schwahn, Karen Edler |
| Day and Time | Friday August 8, AM2 |
| Description | Scope: This ms will cover investigations of meso and nanostructures via heterogeneous interfaces. Topics will focus on large-scale structure investigation of Biological Macromoleculesmineralisation, inorganic templating, framework structures, Biological Macromoleculesmimetic materials and hierarchical materials. |
| Focus | Instrumentation, Techniques and/or Computation |
| MS-40 | S-SAD and Other Applications of Soft X-rays in MX |
| Co-Chairs | John Rose, Manfred Weiss |
| Day and Time | Friday August 8, AM2 |
| Description | This session will present foundations and recent developments in the use of longer-wavelength data collection for macromolecules. It will include the use of Sulfur for SAD phasing and the use of anomalous scatterers with absorption edges at wavelengths significantly longer than 1A. |
| Topic | Biological Macromolecules |
| MS-41 | Electronic and Magnetic Phenomena at Extreme Conditions |
| Co-Chairs | Karen Friese, Karel Prokes |
| Day and Time | Friday August 8, PM1 |
| Description | Topics: Spectroscopic methods for characterization of magnetic state of solids at high pressure, magnetic phase transitions, magnetic syMaterials and Mineralsetry group relations and phase transition pathways, spin crossover, metal-insulator transitions, superconductivity, relaxor ferroelectric materials, Jahn-Teller effect at high pressure. |
| Focus | Physical and/or Fundamental |
| MS-42 | Diffuse Scattering and Partial Disorder in Complex Structures |
| Co-Chairs | Richard Welberry, Marc de Boissieu |
| Day and Time | Friday August 8, PM1 |
| Description | Quantitative studies of diffuse scattering and partial disorder in quasicrystals and other complex structures (modular structures, twins, large unit-cell complex metallic alloys, etc). Physical origins of partial disorder and diffuse scattering - frustration, atomic dynamics, phasons, dislocations, structural models with inherent randomness, singular continuous diffraction, etc. |
| Focus | Physical and/or Fundamental |
| MS-43 | Supramolecular Interactions in the Solid State |
| Co-Chairs | Petra Bombicz, Masaki Kawano |
| Day and Time | Friday August 8, PM1 |
| Description | This symposium will look at preparing and characterising crystalline supramolecular systems. Emphasis should be placed on supramolecular interactions other than hydrogen bonding (which is specifically covered in another symposium), such as halogen bonding and other electrostatic interactions. |
| Focus | Chemical Crystallography |
| MS-44 | New Detectors Enabling New Science |
| Co-Chairs | Takaki Hatsui, Heinz Graafsma |
| Day and Time | Friday August 8, PM1 |
| Description | The field of detector development is vital to most fields of crystallography and structure determination. The advent of new sources, particularly XFELs, is driving the development of a new generation of detectors. The goal of this MS is presentations of the many significant advances in detector technology since the previous detector MS in Osaka. |
| Focus | Instrumentation, Techniques and/or Computation |
| MS-45 | Molecular Mechanisms of Therapeutics and Resistance |
| Co-Chairs | Alejandro Buschiazzo, Celia Shiffer |
| Day and Time | Friday August 8, PM1 |
| Description | This session will include structure-based drug discovery, structural studies of antibiotic resistance, and rational design of vaccines. |
| Focus | Biological Macromolecules |
| MS-46 | XAS of Hydrated Metal Ions and Protein Active Centres in Aqueous Solutions |
| Co-Chairs | Ingmar Persson, Ritimukta Sarangi |
| Day and Time | Friday August 8, PM1 |
| Description | To present the real possibilities and limits of XAS analysis (combined with molecular dynamics, for example) in the study of the solvation structure of metals. This includes inorganic and organometallic metal ions, solvation effects on metalloproteins and high pressure interactions. |
| Focus | XAFS , Biological Macromolecules |
| MS-47 | Thin Film, Texture and Residual Stress Analyses |
| Co-Chairs | David Rafaja, Andrew Payzant |
| Day and Time | Friday August 8, PM1 |
| Description | Application of diffraction in engineering and electronics applications. |
| Focus | Materials or Minerals |
| MS-48 | Nanocrystalline Materials |
| Co-Chairs | E. Ringe, Rong Yu |
| Day and Time | Friday August 8, PM1 |
| Description | At the nanoscale structures can be different, ranging from size-dependent phase transitions, surface reconstructions or different nanoparticle structures to phenomena associated with more surfaces or internal interfaces. This microsymposium will cover progress with electron. neutron and x-ray tools to better understand this. |
| Focus | Physical and/or Fundamental |
| MS-49 | High Pressure Solid State Chemistry and Materials Synthesis |
| Co-Chairs | Vladimir Solozhenk, Haozhe Liu |
| Day and Time | Saturday August 9, AM2 |
| Description | Topics: New hot high-pressure materials, nanopolycrystalline diamond and other superhard materials, hydrogen storage materials, noble gas compounds and other exotic compounds from high pressure synthesis, high pressure nitride synthesis, carbon dioxide sequestration at high pressure, superconductors, exotic forms of elements, high energy density materials. |
| Focus | Materials or Minerals |
| MS-50 | Molecular Photocrystallography |
| Co-Chairs | Dominik Schaniel, Simone Techert |
| Day and Time | Saturday August 9, AM2 |
| Description | This MS is focused on the developing area of the interaction of solid materials with light, and the introduction of the dimension of "time" into crystallographic experiment. It will cover the dynamics of spin crossover systems, solid state cycloaddition reactions, and time resolved crystallography. |
| Focus | Chemical Crystallography |
| MS-51 | Challenging Macromolecular Crystals: Twinning, Aperiodicity, and Low Resolution |
| Co-Chairs | Garib Murshudov, Thomas Schneider |
| Day and Time | Saturday August 9, AM2 |
| Description | This session will present foundations and recent advances in theory and practice for dealing with challenging crystals, including crystals that are twinned, diffract only to very low resolution, or that are aperiodic. |
| Focus | Biological Macromolecules |
| MS-52 | Remote Controls for Crystallography at Synchrotrons and Neutron Sources |
| Co-Chairs | R. Sanishvili, B. H. Toby |
| Day and Time | Saturday August 9, AM2 |
| Description | The focus is on systems created to handle large numbers of samples from e.g. a mail-in programs, automated sampling systems, and high throughput crystallography systems. The session should also include remote “lab-to-lab” operation of instrumentation for data collection. Talks should focus on advances in technology for allowing remote data collection but should include practical information for users on the features of these remote systems and how they can use them. |
| Focus | Instrumentation, Techniques and/or Computation |
| MS-53 | Disease Related Proteins |
| Co-Chairs | Menico Rizzi, Sandra Ribeiro |
| Day and Time | Saturday August 9, AM2 |
| Description | This session will present recent structures and associated functional studies of proteins that are involved in disease, including human, animal and plant diseases. Note that there is another session on "Molecular Mechanisms of therapeutics and resistance" so topics in that area should be avoided. |
| Focus | Biological Macromolecules |
| MS-54 | Biological Macromolecule Structures by Cryo-EM |
| Co-Chairs | Howard Young, Ingeborg Schmidt-Krey |
| Day and Time | Saturday August 9, AM2 |
| Description | This session will cover advances in single particle techniques and new structures of large biological macromolecules, which reveal interesting functional insight and push the limits of resolution. |
| Focus | Physical and/or Fundamental/Biological Macromolecules |
| MS-55 | Pair Distribution Functions: Measurement and Interpretation |
| Co-Chairs | Andrew Goodwin, Toshiya Otomo |
| Day and Time | Saturday August 9, AM2 |
| Description | Furthering PDF as a tool for understanding functional materials. |
| Focus | Materials or Minerals |
| MS-56 | Grazing Incidence Surface Techniques |
| Co-Chairs | Peter Mueller-Buschbaum, Alexander Hexemer |
| Day and Time | Saturday August 9, AM2 |
| Description | This session will focus on techniques and studies enabling large-scale structural determination at surfaces and interfaces. It is anticipated that ms topics will include advances using grazing incidence small-angle neutron and X-ray scattering, as well as X-ray and neutron reflectivity, reflection high energy electron diffraction (RHEED) and complementary methods. |
| Focus | Instrumentation, Techniques and/or Computation |
| MS-57 | Macromolecular and Soft-matter Aperiodic Crystals (crystallography, growth and self-assembly, applications) |
| Co-Chairs | Thomas Russell, Tomonari Dotera |
| Day and Time | Saturday August 9, PM1 |
| Description | Studies of soft matter systems (micelles, polymers, colloids, nanoparticles, etc.) that form quasicrystalline and related novell phases. Experimental determination of structure and symmetry, degree/extent of long-range order, defects, using small angle scattering, TEM, and other tools. Theory of the stabilization mechanisms, numerical simulations, control of self-assembly, etc. |
| Focus | Chemical Crystallography/Biological Macromolecules |
| MS-58 | From Exo-planets to Explosives: Ices and Other Molecular Compounds Under Pressure |
| Co-Chairs | Hiroyuki Kagi, John Loveday |
| Day and Time | Saturday August 9, PM1 |
| Description | The crystallography and physics of molecular materials under high pressure. |
| Focus | Chemical Crystallography |
| MS-59 | The Role of Crystallography in Chemical Reactivity and Catalysis |
| Co-Chairs | Alessia Bacchi, Fernando Lahoz |
| Day and Time | Saturday August 9, PM1 |
| Description | Use of complementary techniques to study chemical reactivity in solid state. |
| Focus | Chemical Crystallography |
| MS-60 | Electron Crystallography and X-ray Powder Diffraction - Two Complementary Techniques for Structure Solution of Nano-and Micron-sized Crystals |
| Co-Chairs | Lynne McCusker, Xiaodong Zou |
| Day and Time | Saturday August 9, PM1 |
| Description | This session will explore the current state of the art in terms of combining electron based methods and x-ray powder diffraction to overcome the limitations of both; 2+2=5. |
| Focus | Physical and/or Fundamental |
| MS-61 | The Beginnings of Biological Crystallography |
| Co-Chairs | Eleanor Dodson, Gil Privé |
| Day and Time | Saturday August 9, PM1 |
| Description | This session will present vivid historical remembrances of the early days of protein crystallography by the early practitioners in a way that connects these early efforts to the most recent accomplishments of structural biology. |
| Focus | Biological Macromolecules |
| MS-62 | Symmetry and Isomorphism in Material Design and Crystal Growth |
| Co-Chairs | Tatyana Bekker, Antoni Dabkowski |
| Day and Time | Saturday August 9, PM1 |
| Description | Symmety of crystal influences both, material properties and crystal growth process. To control crystal growth process, and ultimately - crystal quality, it is important to understand numerous related to crystal syMaterials and Mineralsetry phenomena which are observed during crystal growth - for both, inorganic and organic compounds. Crystal habit and kinetic effects like growth rate anisotropy can influence quality of bulk crystal grown from liquid and shape of growing crystal very often has to be controlled for practical applications. These difficulties are know to be enhance in the case of layered crystals, partially due to limits of the mass transport for different facets present on solid-liquid interface. Quite often phase transitions are observed during cooling crystals grown at elevated temperatures. Nucleation of a new phase can lead to various forms of twinning, creation of domains in ferroelectric, piezoelectric and magnetic materials, including exotic morphotropic phases (like in relaxor type ferroelctrics) are examples of syMaterials and Mineralsetry related phenomena which can significantly influence quality of crystal. Isomorphism is also one of the key concepts of crystallography and structural chemistry. Isomorphic substitution is a very powerful and flexible tool to control the properties of materials, stabilize their desired crystal structure and optimize the conditions of their synthesis. This phenomenon exists in various forms, such as isovalent/heterovalent isomorphism as well as cationic/anionic and combined cationic-anionic isomorphism, that are well represented among natural and man-made materials. |
| Focus | Materials or Minerals |
| MS-63 | Industrial Applications of XRD / Powder Diffraction for the Mining Industry |
| Co-Chairs | Adrian Hill, Mattia Allieta |
| Day and Time | Saturday August 9, PM1 |
| Description | Application of XRD to process and quality control. |
| Focus | Materials or Minerals |
| MS-64 | EXAFS Analysis at the Nanoscale and in Highly Disordered Materials |
| Co-Chairs | Jesús Chaboy, Alexei Kuzmin |
| Day and Time | Saturday August 9, PM1 |
| Description | To present the real possibilities and limits of EXAFS analysis at the nanoscale. To date, different papers have mainly addressed the existence of surface effects in terms of the reduction of the number of coordination. This is a controversial issue that needs clarification coupled with the analysis of disorder effects. Finally, what EXAFS (XANES) can really say regarding the existence of vacancies should be also an interesting topic. |
| Focus | XAFS |
| MS-65 | Charge Density for Drug Design |
| Co-Chairs | Cherif Mata, B. Dittrich |
| Day and Time | Sunday August 10, AM2 |
| Description | Recent charge density studies of molecules of pharmacological interest show the potentiality of such approach for the design of new drugs. The analysis of the topology of the electrostatic potential from theory or experiment enables for the prediction of the formation of chemical bonding or interactions and provides the basis for a rational drug design. |
| Focus | Biological Macromolecules |
| MS-66 | Multiferroics and Other Multi-functional Materials: Synthesis, Properties and High-pressure Behavior |
| Co-Chairs | Edmondo Gilioli, Lars Ehm |
| Day and Time | Sunday August 10, AM2 |
| Description | The aim of this symposium is to develop and strengthen the interactions between the fields of high-pressure crystallography, crystal growth and strongly correlated electron systems. Multiferroics are extremely interesting materials, with numerous possible applications. Their complex transport and structural properties make them a playground for the material science community. In this contest, the role of high pressure synthesis is fundamental both as bulk material, to stabilize metastable or highly distorted structures (mainly complex perovskite) and as single crystals, to correlate the structural properties and the magnetic and electric coupling. |
| Focus | Materials or Minerals |
| MS-67 | Organic and Inorganic Multi-component Crystals: Structure and Properties |
| Co-Chairs | Ashwini Nangia, Delia Haynes |
| Day and Time | Sunday August 10, AM2 |
| Description | Co-crystals with focus on structure-property relationships. These could include altered stability, dissolution or other properties for compounds of agrochemical, pharmaceutical or other industrial interest. |
| Focus | Chemical Crystallography |
| MS-68 | Spreading the Word. Introducing Crystallography to the Public |
| Co-Chairs | Eric Reinheimer, JuanMa Garcia Ruiz |
| Day and Time | Sunday August 10, AM2 |
| Description | This MS will provide a platform for speakers to present on a wide variety of topics, from technology, to K-16 education and outreach, to community engagement, to post-baccalaureate innovations. We hope that this will also showcase efforts ongoing during the IYCr. |
| Focus | Crystallographic Education |
| MS-69 | Hot Structures I |
| Co-Chairs | Daniela Stock, Maria Armenia Carrondo |
| Day and Time | Sunday August 10, AM2 |
| Description | This session will present recent hot macromolecular structures and associated functional studies. |
| Focus | Biological Macromolecules |
| MS-70 | Biological Electron Crystallography |
| Co-Chairs | Daneng Wang, Werner Kuhlbrandt |
| Day and Time | Sunday August 10, AM2 |
| Description | This microsymposium will address technical advances in and interesting structures determined by two dimensional electron crystallography. |
| Focus | Physical and/or Fundamental/Biological Macromolecules |
| MS-71 | Simultaneous Methods with SAS (i.e. simultaneous in situ small-angle scattering and other measurements) |
| Co-Chairs | Wim Bras, Satoshi Koizumi |
| Day and Time | Sunday August 10, AM2 |
| Description | There are significant advantages in conducting complementary measurements simultaneously with small-angle scattering. The MS will focus on instrumentation for, or utilisation of, techniques used at the same time with small-angle scattering. Examples include, but are not limited to, differential scanning calorimetry, viscometry, tensile studies and spectroscopic methods. Submissions concerning the development of novel sample environments or techniques enabling simultaneous SAS are also welcome. |
| Focus | Instrumentation, Techniques and/or Computation |
| MS-72 | Methods, Algorithms and Software for Powder Diffraction |
| Co-Chairs | Ryoko Oishi-Tomiyasu, Jon Wright |
| Day and Time | Sunday August 10, AM2 |
| Description | Phase identification or crystal structure determination from powder diffraction data rely on lattice characterization (both cell parameters, metric symmetry), which due to mathematical and experimental problems reveals some instability and thus interferes with the next steps of the analytical process. This is especially important in recent automated diffractometers, which should give stable results without human intervention. The robust identification of Bravais lattices and lookup of unit cell parameters in databases would be improved if a reduction of both instability sources could be achieved. Thus, advances in autoindexing of diffraction patterns, improvements of cell reduction. |
| Focus | Physical and/or Fundamental |
| MS-73 | Cross-disciplinary Investigations of Structural and Magnetic Properties of Materials by Solid State NMR and Diffraction Techniques |
| Co-Chairs | J.M. Gillet, Francis Taulelle |
| Day and Time | Sunday August 10, PM1 |
| Description | The MS will compare the information provided on the electronic structure of materials by different techniques such as solid state NMR, Xray, gamma, electron or neutron diffraction. |
| Focus | Instrumentation, Techniques and/or Computation |
| MS-74 | Mineralogical Crystallography |
| Co-Chairs | Patrick Mercier, Ron Peterson |
| Day and Time | Sunday August 10, PM1 |
| Description | Mineralogical Crystallography - All aspects of the field and related synthetic inorganic structures ranging from the synthesis and crystal growth to the characterization of the structures and properties, through modelling and development of new methods. |
| Focus | Materials or Minerals |
| MS-75 | Simulated and Experimental Structures in MOF |
| Co-Chairs | Felipe Gandara, Thomas Douglas Bennett |
| Day and Time | Sunday August 10, PM1 |
| Description | Complementary use of molecular simulation and experimental PXRD to solve and refine the structure of large pore MOFs. Molecular optimization; geometrical optimization. Emphasis is not on properties of MOFs but rather on structure determination. |
| Focus | Chemical Crystallography |
| MS-76 | Two Dimensional X-ray Diffraction |
| Co-Chairs | Thomas Blanton, Joseph Reibenspies |
| Day and Time | Sunday August 10, PM1 |
| Description | Two-dimensional X-ray diffraction is an ideal, non-destructive, analytical method for examining many materials, such as metals, polymers, ceramics, semiconductors, thin films, coatings, paints, biomaterials and composites for material science research, molecular structure determination and polymorphism study for drug discovery and processing, and samples with micro volume or micro-area for forensic analysis and archaeology analysis. A two-dimensional diffraction pattern contains abundant information about the atomic arrangement, microstructure and defects in a material. In recent years, the use of two-dimensional detector based diffractometers has dramatically increased in academic, government, and industrial laboratories. This symposium covers the fundamentals and recent advances in two-dimensional X-ray diffraction, including theory, geometry convention, 2D data interpretation and evaluation, instrumentation and various applications, such as phase identification, texture, stress, microstructure analysis, crystal size, crystallinity and thin film analysis. |
| Focus | Physical and/or Fundamental |
| MS-77 | Techniques and Insights into Macromolecular Crystallization |
| Co-Chairs | Joseph Ng, Janet Newman |
| Day and Time | Sunday August 10, PM1 |
| Description | This microsymposium is focused on tools, techniques and technologies that advance the science and success rate of producing X-ray diffraction quality crystals from macromolecules. |
| Focus | Biological Macromolecules |
| MS-78 | Hot Structures II |
| Co-Chairs | Stephen Burley, Elisabeth Sauer-Eriksson |
| Day and Time | Sunday August 10, PM1 |
| Description | This session will present recent hot macromolecular structures and associated functional studies. |
| Focus | Biological Macromolecules |
| MS-79 | In Operando and Structure Evolution - From Atomic to Micron |
| Co-Chairs | Vanessa Peterson, Christine Papadakis |
| Day and Time | Sunday August 10, PM1 |
| Description | This session will be dedicated to structural evolution and in operando studies from the atomic scale to the micron scale. Examples may include polymer phase separation, nucleation and growth, thermal shock, battery discharge. Pushing the boundaries of time resolution as well as studies utilising multiple techniques or studying multiple lengthscales (e.g. SAXS/WAXS) are particularly welcome. |
| Focus | Instrumentation, Techniques and/or Computation |
| MS-80 | Biomolecular Systems Under Pressure - In Memory of Roger Fourme |
| Co-Chairs | Nick Brooks, Thierry Prangé |
| Day and Time | Sunday August 10, PM1 |
| Description | Topics: Experimental approaches to macromolecular crystallography at high pressure, multi-technique approaches, pressure-induced polymorphism of macromolecules, pressure effects on enzyme activity, high-pressure behavior of aminoacids, Biological Macromoleculesmimetics. |
| Focus | Physical and/or Fundamental |
| MS-81 | Pushing the Boundaries of Aperiodic Magnetic & Crystal Structure Solution |
| Co-Chairs | Vaclav Petricek, Walter Steurer |
| Day and Time | Monday August 11, AM2 |
| Description | State-of-the-art methods for magnetic and structural solution, applicable to aperiodic crystals. Novell phase retrieval algorithms, charge flipping, set projection, maximumm entropy, etc. Different approaches for the description and characterization of magnetic and other nontrivial order in aperiodic crystals. |
| Focus | Instrumentation, Techniques and/or Computation |
| MS-82 | Ultimate Resolution and Neutron Crystallography |
| Co-Chairs | Svetlana Antonyuk, Mathew Blakeley |
| Day and Time | Monday August 11, AM2 |
| Description | This session will focus on what can be learned from structures of macromolecules that show locations of hydrogens either from very high-resolution x-ray diffraction or from neutron diffraction. |
| Topic | Biological Macromolecules |
| MS-83 | Structure and Properties in Functional Coordination Compounds |
| Co-Chairs | Reza Kia, Simon Coles |
| Day and Time | Monday August 11, AM2 |
| Description | Including MOFs, zeolites and other functional coordination compounds. Emphasis on properties and applications rather than structure determination alone. |
| Focus | Chemical Crystallography |
| MS-84 | Crystallography Education and Training in the 21st Century: New Pedagogies, New Paradigms Part I |
| Co-Chairs | Clyde Smith, Tim Gruene |
| Day and Time | Monday August 11, AM2 |
| Description | Crystallography Education and Training in the 21st Century: New Pedagogies, New Paradigms. |
| Focus | Crystallographic Education |
| MS-85 | G Protein-coupled Receptors |
| Co-Chairs | tbc |
| Day and Time | Monday August 11, AM2 |
| Description | This session will present recent structures and associated functional studies on G protein-coupled receptors. |
| Focus | Biological Macromolecules |
| MS-86 | IYCr |
| Co-Chairs | Michele Zema, Louise Dawe |
| Day and Time | Monday August 11, AM2 |
| Description | IYCr2014 aims to improve public awareness of the field, boost access to instrumentation and high-level research, nurture locally-trained crystallographers in developing nations, and increase international collaborations for the benefit of future generations. Work towards these objectives is being accomplished by the IUCr-UNESCO OpenLab, a network of crystallographic laboratories based mainly in Africa, Asia and South America, and implemented in partnership with industry. Pioneered by the IUCr Africa Initiative in Crystallography, OpenLabs will facilitate hands-on training for students in modern research techniques. Summit meetings, intended to bring together scientists from widely separated parts of the world, will be held in Karachi (Pakistan), Campinas (Brazil) and Bloemfontein (South Africa). These meetings, to be attended by academics, industry and by science administrators, will focus on high-level science, and also highlight the difficulties of conducting competitive research in the developing world. A worldwide crystal-growing competition aimed at attracting and inspiring children is also taking place. |
| Focus | IYCr |
| MS-87 | Industrial and Technological Applications of Small-Angle Scattering |
| Co-Chairs | U-Ser Jeng, Ritva Serimaa |
| Day and Time | Monday August 11, AM2 |
| Description | Scope: SAS methods are widely used across a range of disciplines. This session is designed to focus on where SAS has been applied to characterise and/or develop systems of significant industrial or technological importance. It is anticipated that submissions could include topics as broad as food, the environment, catalysis, functional polymers, medicine and healthcare. |
| Focus | Instrumentation, Techniques and/or Computation |
| MS-88 | Liquids, Amorphous and Nanocrystalline Solids at Extreme Conditions |
| Co-Chairs | Yoshinori Katayama, Dennis Klugg |
| Day and Time | Monday August 11, AM2 |
| Description | Topics: determination of structure of glasses and liquids from total scattering experiments, reverse Monte Carlo modeling, quantitative in situ density determination for glasses and liquids at high pressure, effects of grain size on physical properties and phase diagrams, ultrasonic in situ measurements on glasses and liquids at high PT, pressure-induced amorphisation, memory glasses, core-shell nanomaterials at extreme conditions. |
| Focus | Physical and/or Fundamental |
| MS-89 | High Resolution Charge Density Using SR |
| Co-Chairs | Y. Chen, Bo Iversen |
| Day and Time | Monday August 11, PM1 |
| Description | Recent advances in high resolution charge density determinations using synchrotron radiation.Comparative studies using conventional Xray and different SR sources. |
| Focus | Instrumentation, Techniques and/or Computation/Chemical Crystallography |
| MS-90 | Structural, Electronic and Magnetic Ordering: From Fundamental Physics to Functionality |
| Co-Chairs | Yuichi Shimakawa, Paul Attfield |
| Day and Time | Monday August 11, PM1 |
| Description | Charge, orbital and magnetic ordering phenomena in complex oxides and related materials, studied by X-ray and neutron scattering and other techniques. |
| Focus | Materials or Minerals, Physical and/or Fundamental |
| MS-91 | Structure of Metal Compounds Mimicking Protein Active Sites |
| Co-Chairs | Christine Cardin, Pat McArdle |
| Day and Time | Monday August 11, PM1 |
| Description | This symposium is aimed at the wide range of metal-containing compounds which serve as model systems for protein active sites. May include synthesis and properties, with a focus on structure-property relationships. |
| Focus | Chemical Crystallography |
| MS-92 | Crystallography Education and Training in the 21st Century: New Pedagogies, New Paradigms Part II |
| Co-Chairs | Saulius Grazulis, Amy Alexis Sarjeant |
| Day and Time | Monday August 11, PM1 |
| Description | Crystallography Education and Training in the 21st Century: New Pedagogies, New Paradigms |
| Focus | Crystallographic Education |
| MS-93 | Structural Biology of Transcriptional and Translational Control |
| Co-Chairs | Leemor Joshua-Tor, Min Yao |
| Day and Time | Monday August 11, PM1 |
| Description | This session will include presentations on structures of proteins and RNAs involved in regulation of transcription and translation. |
| Focus | Biological Macromolecules |
| MS-94 | Recent Development of Widegap Materials; Semiconductor and Oxides |
| Co-Chairs | Detlef Klimm, Yusuke Mori |
| Day and Time | Monday August 11, PM1 |
| Description | This microsymposium is focusing on crystal growth, characterization and devices of widegap semiconductors such as GaN, AlN and SiC. The crystals play an important role for energy and environment in the world in the present time. The minisymposium will contain topics of crystal growth including physical vapor transport (PVT), liquid phase epitaxy (LPE) and chemical vapor deposition (CVD) and etc., and characterization using X-ray by synchrotron radiation and atomic force microscopy. Moreover, characterization of devices using the widebandgap semiconductors in operation condition will be discussed. Furthermore, several metal oxides such as ZnO, β-Ga2O3, In2O3, SnO2 are semiconductors, but their application for active electronic devices is still scarce. ZnO based varistor ceramics are an example where p-n junctions are created between the n-type ZnO grain and the heavily doped (typically Bi3+) p-type intergrain matrix. Indium-tin oxide (ITO) or Al3+,Ga3+:ZnO have wide applications as transparent conducting electrodes for photovoltaics or flat-panel displays. Interfaces between SrTiO3 and LaAlO3 show extreme high electron mobility exceeding 10,000 cm2/Vs at low temperatures. So far, the following points are established: (1) Transparent conducting oxides (TCO’s) and transparent semiconducting oxides (TSO’s) are with a few exceptions available as polycrystals or thin layers only; (2) transport properties are significantly governed by surface structure and electronic surface states; (3) most TCO’s are intrinsic n-type semiconductors and p-type doping is either impossible, or possible only at surfaces or other defects; (4) the previous point has some exceptions: CuAlO2, SnO, and a few other materials are p-type. It is the aim of the proposed microsymposium to focus the attention of the crystallographic community on this promising group of materials. Special attention should be put on the following issues: structural defects (origin and influence on electronic properties), surfaces and interfaces (electronic surface states, reconstruction), epitaxy (perhaps the only promising way to create p-n junctions in TSO’s), phase transformations (e.g. the ferroelectric transformation of SrTiO3). |
| Focus | Materials or Minerals |
| MS-95 | Symmetry and its Generalisations in Science and Art |
| Co-Chairs | M.A. Louise de la Penas, Emil Makovicky |
| Day and Time | Monday August 11, PM1 |
| Description | Symmetry underpins Nature in all its expressions, from the structure of minerals building a rock to the complex assembly of biological macromolecules, from the morphology of crystals and living beings to the fundamental properties of elementary particles. Crystal engineering and drug-design rely on symmetry to develop new devices and compounds with target properties. Works of art and architectural realisations mimic Nature or takes inspiration from its symmetry patterns, which however often go beyond classical space-group symmetry to include colour symmetry, local and partial operations (groupoid symmetry), subperiodic and sectional groups as well as symmetry in non Euclidean geometry. The purpose of this microsymposium is to draw attention on some of these generalised symmetries, especially those less commonly approached by crystallographers in their daily work, and to present examples taken from Nature, man-made works, art and architecture where these symmetries play an important role. |
| Focus | Physical and/or Fundamental |
| MS-96 | New Computational Approaches to Structure Solution and Refinement |
| Co-Chairs | Richard Cooper, Lukas Palatinus |
| Day and Time | Monday August 11, PM1 |
| Description | New computational methods and approaches for all structural fields of crystallography. |
| Focus | Instrumentation, Techniques and/or Computation |
| MS-97 | Quantitative Electron Imaging and Composition: Applications to Crystallographic Problems |
| Co-Chairs | Jainmin Zuo, Karla Balzuweit |
| Day and Time | Tuesday August 12, AM2 |
| Description | With the increasing signal and resolution in aberration corrected instruments, the door has opened to new methods of imaging atomic positions with picometer accuracy as well as chemical and electronic structure atom-by-atom. |
| Focus | Physical and/or Fundamental |
| MS-98 | X-ray, Muon and Neutron Studies of Magnetic Structure in Materials |
| Co-Chairs | Youchi Murakami, Oksana Zaharko |
| Day and Time | Tuesday August 12, AM2 |
| Description | Synchrotron X-rays and neutron probes are used in a complimentary fashion for a range of structure studies, such as magnetic structure. Muons are a powerful probe to detect very small local magnetic moments, complimenting the neutron and synchrotron probes for average magnetic structure. The complementary use of these probes is effective to reveal complicated magnetic structures like magnetically frustrated systems. |
| Focus | Physical and/or Fundamental |
| MS-99 | Non Ambient Crystallographic Studies of Nanoporous Materials |
| Co-Chairs | Stephen Moggach, Lee Brammer |
| Day and Time | Tuesday August 12, AM2 |
| Description | Intended to include all forms of non-ambient conditions (temperature, pressure, atmosphere) in organic and metal-organic porous materials. |
| Focus | Chemical Crystallography |
| MS-100 | Beginner's Guide to Validation of Crystallographic Results |
| Co-Chairs | B. Santarsiero, B. Rupp |
| Day and Time | Tuesday August 12, AM2 |
| Description | This is intended as a tutorial session on validation: what is validation, what are the key criteria for validation of small-molecule and macromolecular structures, how to interpret a validation result including expected values and how to identify what is an error and what is a an unusual feature, and what to do next if errors or unusual situations are found. A variety of software tools for validation and the tools provided by archives such as the PDB will be described. |
| Focus | Biological Macromolecules |
| MS-101 | Membrane Protein Structure, Function, and Dynamics |
| Co-Chairs | David Drew, tbc |
| Day and Time | Tuesday August 12, AM2 |
| Description | This session will present recent structures and associated functional studies of membrane proteins. |
| Focus | Biological Macromolecules |
| MS-102 | Structural Bioinformatics |
| Co-Chairs | Adam Godzik, Balaji Prakash |
| Day and Time | Tuesday August 12, AM2 |
| Description | This session will show how bioinformatics can help before you solve your structure. It will show how to choose what part of your molecule to express and crystallize and how to choose mutants to crystallize. It will help you learn whether parts of your molecule are likely to be disordered. It will help identify whether a low-sequence identity homologue of your target protein is really a good structure to solve. |
| Focus | Biological Macromolecules |
| MS-103 | Spectroscopic Approaches (XAFS, XANES, NMR, ...) in Crystallography |
| Co-Chairs | M. Tabuchi, Carlo Lamberti |
| Day and Time | Tuesday August 12, AM2 |
| Description | Many spectroscopic techniques are naturally complementary with crystallographic methods. Multiple Wavelength Anomalous Dispersion is intrinsically a combined XRD/XAS technique, for example. XAFS and XANES combine to give detailed information on dynamical bonding, dynamical versus static disorder, oxidation and coordination number of active or intermediate states which complement other techniques extremely well. Further, XAFS and XANES combine well with IR to probe detailed molecular dynamics. |
| Focus | XAFS |
| MS-104 | Crystal Structure Prediction and Materials Design |
| Co-Chairs | Roman Martonak, Tian Cui |
| Day and Time | Tuesday August 12, AM2 |
| Description | Crystal structure prediction, a central problem in crystallography, was widely considered as an intractable problem and a stumbling block to computational materials design. With recent developments, this problem has become tractable, and a new scientific revolution is on its way. The ability to predict crystal structures allows one to predict materials with desired physical properties and one can expect this approach to take over the traditional trial-and-error laboratory approach to materials discovery. This symposium will present the most recent achievements in this booming field - from exotic compounds at extreme conditions to the design of novel functional materials to drug design. |
| Focus | Physical and/or Fundamental |
| MS-105 | Frustration, Topology and Chirality in Metals and Complex Oxides |
| Co-Chairs | Taku J. Sato, Laurent Chapon |
| Day and Time | Tuesday August 12, PM1 |
| Description | Skyrmions and other chiral systems (metals, oxi-selenides etc.) and the search for topological strongly correlated insulators, especially in 4d and 5d TM compounds. |
| Focus | Physical and/or Fundamental |
| MS-106 | Combined Studies of Charge, Spin and Momentum Densities |
| Co-Chairs | Nicolas Claiser, Javier Campo |
| Day and Time | Tuesday August 12, PM1 |
| Description | Electron densities as studied by different techniques (Xray, magnetic Xray, polarized neutron diffraction, and Compton scattering (magnetic or not) ) and combination of the data sets provided by these techniques for refining a common model for the electron density. |
| Focus | Physical and/or Fundamental |
| MS-107 | Applications of Powder Diffraction in the Pharmaceutical Industry |
| Co-Chairs | Mino Caira, Ian Williams |
| Day and Time | Tuesday August 12, PM1 |
| Description | Polymorphism, co-crystals, stability studies and other applications. |
| Focus | Chemical Crystallography |
| MS-108 | Applications of Anomalous Small-angle X-ray Scattering |
| Co-Chairs | Lee Makowski, Armin Hoell |
| Day and Time | Tuesday August 12, PM1 |
| Description | Anomalous SAXS can provide unique information in the study of materials. This session will focus on scientific activities and instrument developments in the study of broad classes of materials including amorphous materials, interfaces, energy related materials, charge distribution around macroions, porosity, nanoparticles and nanocomposites using ASAXS. |
| Focus | Instrumentation, Techniques and/or Computation |
| MS-109 | Chromatin and Epigenetics |
| Co-Chairs | Jinrong Min, Cheryl Arrowsmith |
| Day and Time | Tuesday August 12, PM1 |
| Description | This session will present structures and associated functional studies on chromatin, chromatin-remodeling systems, post-translational modifications involved in regulation of chromatin and in other epigenetic effects. |
| Focus | Biological Macromolecules |
| MS-110 | Viruses and Viral Proteins |
| Co-Chairs | M.R.N. Murthy, Nuria Verdaguer |
| Day and Time | Tuesday August 12, PM1 |
| Description | This session will present recent structures and associated functional studies of viruses and proteins from viruses. |
| Focus | Biological Macromolecules |
| MS-111 | Surfaces |
| Co-Chairs | Joanne Stubbs, J. Ciston |
| Day and Time | Tuesday August 12, PM1 |
| Description | The focus of this session will be any and all methods of investigating the atomic structure of surfaces, ranging from those using electrons (TED, RHEED, LEED) to techniques using x-rays (e.g. SXRD) as well as other tools such as XPS, plus combinations with other tools such as probe microscopies. |
| Focus | Physical and/or Fundamental |
| MS-112 | New Approaches to Crystal Structure Prediction |
| Co-Chairs | Graeme Day, tbc |
| Day and Time | Tuesday August 12, PM1 |
| Description | Methods and techniques that can be applied to either “organic” and/or “inorganic” structures are of interest here. Compare & contrast methods, predictions of stable compounds under ambient and non-ambient conditions, co-crystal stability, polymorph prediction and drug design, and related problems. |
| Focus | Chemical Crystallography/Instrumentation, Techniques and/or Computation |