Program/Scientific Program
Microsymposia

   

 

MS-01	Phase Transitions in Functional Inorganic Materials and Minerals
Co-Chairs	Pam Thomas, Kazumasa Sugiyama
Invited Speakers	Nan Zhang, Semën Gorfman, Kenji Tsuda
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
Invited Speakers	Stefan Förster, Alan I. Goldman, Hem Raj Sharma
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	Masaki Takata, Sander Van Smaalen
Invited Speakers	Vincent Juvé, Eiji Nishibori, Sebastian Christensen
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
Invited Speakers	Peng Chen, Yujie Sun
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
Invited Speakers	Peter Kwong,Yong Xiong, Celia Schiffer
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
Invited Speakers	Anders Nilsson, Makina Yabashi, Chris Milne
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
Invited Speakers	Dmitry Chernyshov, Christopher Wolverton, Cory Widdifield
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
Invited Speakers	Sebastian Mühlbauer, Stephen Lee, Morten Eskildsen
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
Invited Speakers	Jerome Rouquette, Bruce Gaulin, Gregory Halder
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
Invited Speakers	Sven Lidin, Carolyn Brock, Alexander Schmid Siegbert
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
Invited Speakers	Stef Smeets, Kenneth Shankland, Olivier Gourdon
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
Invited Speakers	Vladimir Solozhenko, Vitor Pereira, Katsunori Wakabayashi
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
Invited Speakers	Yonggui Gao, Xiaodong Su, Andrzej Joachimiak
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
Invited Speakers	Mario Delgado-Jaime, Simo Huotari, Dimosthenis Sokaras
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
Invited Speakers	Joke Hadermann, Paulo Ferreira, Ian Richardson
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
Invited Speakers	JiJie Chai, Ian Wilson, Katrin Rittinger
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
Invited Speakers	Colin Pulham, Karen Friese, Anna Olejniczak
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
Invited Speakers	Song Gao, Wojciech Grochala
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
Invited Speakers	Alessandro Genoni, Benoit Guillot, Terutoshi Sakakura
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
Invited Speakers	Sébastien Boutet, Oliver Gessner, Jesse Norman Clark
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
Invited Speakers	Nobuo Noda , Xiaodong Cheng, Hao Wu
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	Zbigniew Dauter, Maskai Yamamoto
Invited Speakers	Randy Read, Gwyndaf Evans, Wayne Hendrickson
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
Invited Speakers	Dorthe Ravnsbaek, Neeraj Sharma, Phoebe Allan
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
Invited Speakers	Stavros Nikolopoulos, Tatiana Gorelik, Xiaodong Zou
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	Jacqui Cole, Simon Grabowsky
Invited Speakers	Marlena Gryl, Benoit Champagne, Jay Bourke
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
Invited Speakers	Roger D. Johnson, Je-Geun Park, Noriki Terada
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	Stanislav Sinogeykin, Simon Redfern
Invited Speakers	Konstantin Kamenev, Guoyin Shen, Hiroyuki Kagi
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
Invited Speakers	Dmitry Svergun, John Tainer, Savvas Savvides
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	Michael James, Marie Fraser
Invited Speakers	William Furey, Wayne Anderson, Miroslaw Cygler
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, John Westbrook
Invited Speakers	John Johnson, Colin Groom, Torsten Schwede,
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
Invited Speakers	David Wragg, Manuel Perez-Mato, Philip Lightfoot
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
Invited Speakers	Valeria Nicolosi, Kazu Suenaga, Jamie Warner
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
Invited Speakers	Dmitry Khalyavin, Václav Petříček, José Luis Ribeiro
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
Invited Speakers	Uwe Grimm, Lorenzo Sadun, Nicolae Strungaru
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
Invited Speakers	Leonard R. MacGillivray, Jagadese Vittal , Gareth Lloyd
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 Weiss
Invited Speakers	Thomas Barends, Eric Xu, Michael Soltis
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
Invited Speakers	Susan M. Lea, Petr Leiman, Gabriel Waksman
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
Invited Speakers	Fabia Gozzo, Thomas Wroblewski, Stephanie Monaco-Malbet
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
Invited Speakers	Wolfgang Tremel, Elena Rosseeva, Julien Cambedouzou
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
Invited Speakers	Armin Wagner, Qun Liu, Meitian Wang
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
Invited Speakers	Kosmas Prassides, Paul Attfield, Hiroyuki Nojiri
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
Invited Speakers	Philippe Rabiller, Marek Pasciak, Arkadiy Simonov
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
Invited Speakers	Giuseppe Resnati, Elena Boldyreva, Hidehiro Uekusa
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
Invited Speakers	Hugh Phillip, Bernd Schmitt, Chris Kenney
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 Schiffer
Invited Speakers	Natalie Strynadka, Enrico Malito, Stefan Sarafianos
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
Invited Speakers	Daniel Lundberg, Farideh Jalilehvand, Junko Yano
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
Invited Speakers	Christoph Genzel, Radomir Kuzel, Donald Brown
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
Invited Speakers	Richard Palmer, Rowan K. Leary, Laurence Marks
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 Solozhenko, Haozhe Liu
Invited Speakers	Alexander Goncharov, Takashi Taniguchi, Youwen Long
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
Invited Speakers	Thomas Elsaesser, Shin-Ishi Adachi, Philip Coppens
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
Invited Speakers	Harold Powell, Gloria Borgstahl, Nathaniel Echols
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	Ruslan Sanishvili, Brian Toby
Invited Speakers	Matthew Suchomel, Craig Ogata, David Hall
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
Invited Speakers	David Eisenberg, Jacqueline Cherfils, Filip Van Petegem
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
Invited Speakers	James Chen, John Rubinstein, Elizabeth Stroupe
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
Invited Speakers	Karena Chapman, Hyunjeong Kim, David Keen
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
Invited Speakers	Stephan V. Roth, Naoya Torikai, Kevin G. Yager
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
Invited Speakers	Yushu Matsushita, Stephan Foerster, Yasuhiro Sakamoto
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
Invited Speakers	Masakazu Matsumoto, Malcolm Guthrie, Ioan Magdau
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
Invited Speakers	Pance Naumov, Masaki Kawano, Guillermo Minguez Espallargas
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
Invited Speakers	Ute Kolb, Dan Xie, Junliang Sun
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
Invited Speakers	Brian Matthews, Phil Evans, Steve Harrison
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
Invited Speakers	Elias Vlieg, Jacques Huot, Radovan Cerny
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
Invited Speakers	Andrew Beale, Hester Du Plessis, Uwe Koenig
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	Sofia Diaz-Moreno, Jesús Chaboy, Alexei Kuzmin
Invited Speakers	Anatoly Frenkel, Clara Guglieri, Steve Baker
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 Matta, Birger Dittrich
Invited Speakers	Lou Massa, Christian Jelsch, Fernando Cortes-Guzman
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
Invited Speakers	Alexei Belik, John Bleddyn, Yuichi Shimakawa
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
Invited Speakers	Andreas Lemmerer, Tomislav Friscic, Norimitsu Tohnai
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
Invited Speakers	Alessia Bacchi, Fermin Otálora, Ulrich Griesser
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
Invited Speakers	Alice Vrielink, Özkan Yildiz, Alan Brown
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
Invited Speakers	Stefan Raunser, Cristina Paulino, Tamir Gonen
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
Invited Speakers	Kohji Tashiro, Bo Iversen, Sylvio Haas
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
Invited Speakers	Ryoko Oishi-Tomiyasu, Reinhard Neder, Takashi Ida
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	Jean-Michel Gillet, Francis Taulelle
Invited Speakers	Luis Mafra, Nicolas Claiser, Frank Haarmann
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
Invited Speakers	Frank Hawthorne, Wulf Depmeier, Bryan Chakoumakos
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
Invited Speakers	Stephen Moggach, Shuhei Furukawa, George Shimizu
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
Invited Speakers	Alejandro Rodrigues-Navarro, Bob He, Patrik Ahvenainen
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
Invited Speakers	Edward Snell, James Holton, Christopher Kupitz
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
Invited Speakers	Matthias Haffke, Irmgard Sinning, Raymond Hui
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
Invited Speakers	Toru Ishigaki, Ezzeldin Metwalli, Andrew Allen
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
Invited Speakers	Sol Gruner, Nobuhisa Watanabe, Oscar Ces
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
Invited Speakers	Veit Elser, Eiji Abe, Philipe Boullay
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
Invited Speakers	Zbigniew Dauter, Andrey Kovalevsky, Alberto D. Podjarny
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
Invited Speakers	Michael Zaworotko, Mark Elsegood, Andrew Burrows
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
Invited Speakers	Erin Wasserman, Bernhard Rupp, Horst Puschmann
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	Enzymes and macromolecular machines - part 2. Dedicated to Louis Delbaere
Co-Chairs	Shaun Lott, Marina Mapelli
Invited Speakers	Zongchao Jia, Neil McDonald, Gerald Audette
Day and Time	Monday August 11, AM2
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-86	IYCr
Co-Chairs	Michele Zema, Louise Dawe
Invited Speakers	Leopoldo Suescun, Jagadese Vittal, Claude Lecomte
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
Invited Speakers	Lynne Thomas, Karen Edler, Hiroyasu Masunaga
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
Invited Speakers	Nobumasa Funamori, Chris J. Benmore, Christoph Salzmann
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	Yu-Sheng Chen, Bo Iversen
Invited Speakers	Jens Als Nielsen, Simon Grabowsky, Jacob Overgaard
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
Invited Speakers	John E. Greedan, Manuel Angst, Yoshiyuki Inaguma
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
Invited Speakers	Carola Schulzke, Gregory Rohde, James Hall
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
Invited Speakers	Peter Moek, Graciela Diaz De Delgado, Louise Dawe
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
Invited Speakers	Shigeyuki Yokoyama, Carlos Fernandez-Tornero, Ian MacRae
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
Invited Speakers	Siddha Pimputkar, Takayoshi Oshima, Michael Lorenz
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
Invited Speakers	Boris Zhilinskii, Christophe Golé, Celerino Abad-Zapatero
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
Invited Speakers	George Sheldrick, Matt Tucker, Todd Yeates
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
Invited Speakers	Colin Ophus, Jing Zhu, Christian Dwyer
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
Invited Speakers	Arsen Gukasov, Hajime Sagayama, Vladimir Pomjakushin
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
Invited Speakers	John Parise, Masaki Takata, Len Barbour
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	Bernard Santarsiero, Bernhard Rupp
Invited Speakers	Sameer Velankar, Ed Pozharski, Heping Zheng
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-Chair	David Drew
Invited Speakers	Simon Newstead, Jian Payandeh, Timm Maier
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
Invited Speakers	tbc
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	Maseo Tabuchi, Carlo Lamberti
Invited Speakers	Charlotte Martineau, John J. Rehr, Mikhail Soldatov
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
Invited Speakers	Qiang Zhu, Rajeev Ahuja, John Tse
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
Invited Speakers	Collin Broholm, Shinichiro Seki, Isabelle Mirebeau
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
Invited Speakers	Alan Pinkerton, Yoshiharu Sakurai, Jon Duffy
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
Invited Speakers	Kenneth Harris, Raj Suryanarayanan, Ann Newmann
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
Invited Speakers	Narayanan Theyencheri, Lois Pollack, Rainer Lechner
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
Invited Speakers	Jean-Francois Couture, Jianye Zang, Huang Ying
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
Invited Speakers	Michael G. Rossmann, Felix A. Rey, Fasseli Coulibaly
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, Jim Ciston
Invited Speakers	Daniel Schwarz, Christian Schlepuetz, Yuki Fukaya
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
Invited Speakers	Sarah L. Price, Gregory Beran, Maciej Haranczyk
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

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