XXV General Assembly and Congress of the
International Union of Crystallography - IUCr 2021
August 14 - 22, 2021 | Prague, Czech Republic
Conference Agenda
Overview and details of the sessions of this conference. Please select a date or location to show only sessions at that day or location. Please select a single session for detailed view (with abstracts and downloads if available).
Please note that all times are shown in the time zone of the conference. The current conference time is: 18th June 2024, 06:23:05am CEST
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Session Overview |
Date: Monday, 16/Aug/2021 | |||||||||
9:00am - 9:50am |
KN-7: Electron crystallography of molecular crystals Location: Terrace 2A Chair: Václav Petříček Lukáš Palatinus Plenary and keynote Electron crystallography of molecular crystal |
KN-8: Order and disorder in metal-ion battery materials Location: Terrace 2B Chair: Radovan Cerny Artem Abakumov Plenary and keynote Order and disorder in metal-ion battery materials |
KN-9: Crystalline sponge, metal-organic assembles Location: Club A Chair: Masaki Kawano Makoto Fujita Plenary and keynote Crystalline Sponge Method: Recent Updates and Applications |
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9:50am - 10:20am |
Morning break 2: Exhibition, posters, coffee/tea Location: Exhibition and poster area |
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10:20am - 12:45pm |
MS-17: Automation in bio-crystallography: tools, perspectives and applications Location: Club A Chair: Santosh Panjikar Chair: Melanie Vollmar Invited: Katherine McAuley (UK), Jose Marquez (France) Introduction Introduction to session 10:25am - 10:55am Biological and macromolecular crystallography Online Crystallography: Automated, Remote Controlled Protein-to-Structure Pipelines for Drug Design 10:55am - 11:25am Biological and macromolecular crystallography Automated data collection at the Swiss Light Source macromolecular crystallography beamlines 11:25am - 11:45am Biological and macromolecular crystallography Fully automated data collection and remote access in macromolecular crystallography beamlines at the Photon Factory, Japan 11:45am - 12:05pm All topics Millisecond Time-Resolved Crystallography using Film Mixing and Plunge Cooling 12:05pm - 12:25pm All topics Automated ML-based sample centering for macromolecular X-ray crystallography with MXAimbot 12:25pm - 12:45pm All topics xia2.multiplex: a multi-crystal data analysis pipeline |
MS-18a: Phase transitions in complex materials (structure and magnetism) I Location: Terrace 2B Chair: Yuichi Shimakawa Chair: Alexandra Gibbs Invited: Midori Amano Patino (Japan), Patrick Woodward (USA) Introduction Introduction to session 10:25am - 10:55am Physics and fundamental crystallography Phase Transitions in Hybrid Layered Halide Perovskites – Hydrogen Bonding Meets Octahedral Tilting 10:55am - 11:25am All topics Complex A-site magnetism in quadruple perovskite materials 11:25am - 11:45am Bursary application Charge order-disorder crossover and Co-O bond anomalies in the Co3O2BO3 ludwigite 11:45am - 12:05pm Physics and fundamental crystallography Competition between spin-orbit coupling and molecular orbital crystal in pyrochlore ruthenate In2Ru2O7 12:05pm - 12:25pm All topics Cation order and magnetic behaviour in mixed metal bismuth scheelite Bi3FeMo2O12 12:25pm - 12:45pm Physics and fundamental crystallography Correlated disorder-to-order crossover in the local structure of KxFe2-ySe2-zSz superconductor |
MS-19: Crystal structures of pharmaceutical and organic compounds from electron diffraction Location: Terrace 2A Chair: Ute Kolb Chair: Petr Brazda Invited: Enrico Mugnaioli (Italy), Brent Nannega (USA) Introduction Introduction to session 10:25am - 10:55am Chemical crystallography, crystal structures Combining MicroED and GIWAXS for determining structure and orientation of organic semiconductor thin films 10:55am - 11:25am Chemical crystallography, crystal structures Strategies for structure solution of small-molecule organics by 3D ED using a small beam 11:25am - 11:45am Bursary application The crystal structure determination of an organic dye with triclinic symmetry by electron diffraction 11:45am - 12:05pm Bursary application Refinement with multipolar scattering factors 12:05pm - 12:25pm Bursary application Improving data quality for 3D electron diffraction (3DED) by Gatan Image Filter 12:25pm - 12:45pm Chemical crystallography, crystal structures 3D electron diffraction: a dedicated device for structural elucidation of nanocrystalline particles |
MS-20: Dynamic frameworks Location: Club C Chair: Christopher SUMBY Chair: Michael John Zaworotko Invited: Hoi Ri Moon (Republic of Korea), Yao Chen (China) Introduction Introduction to session 10:25am - 10:55am Chemical crystallography, crystal structures Flexible Metal-Organic Frameworks for Hydrogen Isotope Separation 10:55am - 11:25am All topics Novel composite platform: Biomolecules-incorporation for biocatalysis, separation and biopharmaceutical formulations 11:25am - 11:45am Chemical crystallography, crystal structures Dynamic frameworks: the role of non-covalent interactions 11:45am - 12:05pm Chemical crystallography, crystal structures Synthesis and structural properties of isostructural Zn(II) M12L8 poly-[n]-catenane using the 2,4,6-tris(4-pyridyl)benzene (TPB) ligand 12:05pm - 12:25pm Chemical crystallography, crystal structures Cocrystallization, high pressure/low temperature behaviour and vapochromism in a family of aurophilic copper-gold supramolecular networks. 12:25pm - 12:45pm Bursary application Structural modifications occurring during the water sorption processes on a potential material for autonomous indoor humidity control |
MS-21: Structure, modeling and properties of quasicrystals Location: Club B Chair: Michael Engel Chair: Cesar Baban Pay Gómez Invited: Tsunemoto Yamada (Japan), Priya Subramanian (UK) Introduction Introduction to session 10:25am - 10:55am All topics Atomic structures of Tsai-type icosahedral quasicrystals and approximants 10:55am - 11:25am All topics How to determine thermodynamically stable soft matter quasicrystals efficiently? 11:25am - 11:45am Theory, computation, modelling, data, standards The d-AlCuRh stability – the proof of the random-tiling hypothesis by the distribution moments analysis 11:45am - 12:05pm Physics and fundamental crystallography Beyond Golay-Rudin-Shapiro 12:05pm - 12:25pm All topics Molecular dynamics simulation of complex alloy structures 12:25pm - 12:45pm Physics and fundamental crystallography Atomic resolution holography for characterizing the local structure in quasicrystals |
MS-22: Methods and software developments for magnetic-structure analysis Location: 223-4 Chair: J. Manuel Perez-Mato Invited: Juan Rodriguez-Carvajal (Spain), Václav Petříček (Czech Republic) Introduction Introduction to session 10:25am - 10:55am Physics and fundamental crystallography Jana2020 - Magnetic option 10:55am - 11:25am Physics and fundamental crystallography Developments in FullProf for magnetic structures determination in superspace 11:25am - 11:45am Methods and instruments MagStREXS: a crystallographic software for magnetic structure determination through resonant X-ray magnetic diffraction data 11:45am - 12:05pm Methods and instruments Asphericity of magnetisation density and anisotropy in rare-earth pyrochlores via polarized neutron diffraction and iterative entropy maximization 12:05pm - 12:25pm All topics Magnetic x-ray standing waves 12:25pm - 12:45pm Physics and fundamental crystallography Global optimization of magnetic structure analysis by semidefinite relaxation method |
MS-23: Ptychography: present and near future Location: Club D Chair: Manuel Guizar Sicairos Chair: Julio Cesar da Silva Invited: Chris Jacobsen (USA), Julian Reinhardt (USA) Introduction Introduction to session 10:25am - 10:55am All topics Ptychography: how it has developed, and where it might lead 10:55am - 11:25am All topics Collaborative software solutions and data standards for ptychographic Imaging 11:25am - 11:45am Methods and instruments Quantitative analysis of cementitious materials by X-ray ptychographic nanotomography 11:45am - 12:05pm Methods and instruments Imaging of synapses in 3D with non-destructive synchrotron X-ray ptychography 12:05pm - 12:25pm Methods and instruments Spectral X-ray ptychography for the investigation of technical catalysts 12:25pm - 12:45pm Methods and instruments Coupled ptychography and tomography reconstruction of experimental data |
MS-24: Data-driven discovery in crystallography Location: Club H Chair: Olivier C. Gagné Chair: Anton Oliynyk Invited: Wenhao Sun (USA), Aria Mansouri Tehrani (Switzerland) Introduction Introduction to session 10:25am - 10:55am Theory, computation, modelling, data, standards Unsupervised Knowledge Discovery in ‘Big’ Materials Data 10:55am - 11:25am Theory, computation, modelling, data, standards Predicting ground state and metastable crystal structures using elemental and phonon mode 11:25am - 11:45am Theory, computation, modelling, data, standards Beyond the constraints of chemistry: Crystal structure discovery in particle simulations 11:45am - 12:05pm Theory, computation, modelling, data, standards Data-driven approaches on pair distribution function data: matrix factorization and clustering 12:05pm - 12:25pm Theory, computation, modelling, data, standards First-principle diffraction simulations as a tool to solve the nanodiffraction problem 12:25pm - 12:45pm Theory, computation, modelling, data, standards Study of noncovalent interactions using crystal structure data in the Cambridge Structural Database |
SF-2: Software Fayre 2 Location: 221-2 Chair: Martin Lutz Software Fayre Using next generation ab initio models with AMPLE 11:05am - 11:50am Software Fayre What literature papers are related to my diffraction dataset? Pydatarecognition - a web project of the IUCr Journals and Columbia University 11:50am - 12:35pm Software Fayre SIMBAD: Sequence independent MR |
12:45pm - 2:45pm |
Lunch 2: Exhibition, posters, lunches Location: Exhibition and poster area |
Meeting ECA1: ECA Council Meeting Location: Club H Chair: Udo Heinemann Chair: Arie van der Lee ECA council meeting 1 |
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1:30pm - 2:00pm |
CS-2: Commercial session: Xenocs Location: Terrace 2A Chair: Jerome Boutant Chair: Milan Dopita 30 min company presentation |
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2:00pm - 2:30pm |
CS-3: Why Spot-Cap® is the best option for protein purification (Chromotek) Location: Terrace 2A Chair: Milan Dopita 30 min company presentation |
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2:45pm - 5:10pm |
MS-25: Structural biology against coronavirus/covid-1 Location: Club A Chair: Sarah EJ Bowman Chair: Lu Zhang Chair: Gianluca Santoni Invited: Xuhui Huang (China) Introduction Introduction to session 2:50pm - 3:20pm All topics Millisecond Functional Dynamics of RNA Polymerases Elucidated by Markov State Models 3:20pm - 3:40pm Biological and macromolecular crystallography Co-crystallization of hepatitis C virus NS3/4A inhibitors and SARS-CoV-2 main protease using high density acoustic droplet ejection (ADE) 3:40pm - 4:00pm Biological and macromolecular crystallography Structural basis of mRNA cap modification by SARS-CoV-2: Role of metal ions and implications for COVID-19 severity by emerging variants 4:00pm - 4:20pm Biological and macromolecular crystallography Crystallographic fragment screening of SARS-CoV-2 drug discovery targets 4:20pm - 4:40pm Biological and macromolecular crystallography A structure-guided, taxonomic-based approach to the design of broad-spectrum coronavirus protease inhibitors 4:40pm - 5:00pm Biological and macromolecular crystallography Structure of SARS-CoV-2 papain-like protease PLpro reveals a framework for antiviral inhibitor design |
MS-26: Solution scattering and combined techniques for biological systems, including component dynamics Location: Club B Chair: Frank Gabel Chair: Masaaki Sugiyama Invited: Mitsunori Ikeguchi (Japan), Anne Martel (France) Introduction Introduction to session 2:50pm - 3:20pm All topics Motion of a Membrane Enzyme as Seen by SANS 3:20pm - 3:50pm All topics MD-SAXS: Hybrid method of molecular dynamics simulations and small-angle x-ray scattering experiments 3:50pm - 4:10pm Biological and macromolecular crystallography Transient complexes of the Nsp7, Nsp8 and Nsp12 in SARS-CoV-2 replication transcription complex 4:10pm - 4:30pm Biological and macromolecular crystallography The dynamics and interactions of Scs proteins from Proteus mirabilis 4:30pm - 4:50pm All topics Application of a lanthanide tag for evaluation of conformational states of a multidomain protein 4:50pm - 5:10pm Biological and macromolecular crystallography An Objective Metric to Guide Background Correction and Interepretation of Small Angle X-ray Scattering Data |
MS-27: New trends in pharmaceutical materials Location: Club D Chair: Nikoletta B. Bathori Chair: Laszlo Fabian Invited: Tonglei Li (USA), Doris Braun (Austria) Introduction Introduction to session 2:50pm - 3:20pm Materials and minerals Troublesome hydrates of alkaloids 3:20pm - 3:50pm All topics Kinetic Retraction at the Onset of Concomitant Crystallization 3:50pm - 4:10pm Chemical crystallography, crystal structures “Particle Informatics”: Evolving methods for understanding particle properties 4:10pm - 4:30pm All topics A Novel Physics-based Ensemble Modeling Approach that Utilizes Crystal Packing to Predict Aqueous Thermodynamic Solubility 4:30pm - 4:50pm All topics The harvesting of small molecule structure and dynamic data for macromolecular and catalytic usage. 4:50pm - 5:10pm Chemical crystallography, crystal structures Absolute configuration directly determined from 3D electron diffraction data |
MS-28: Theory and practice of supramolecular synthons in crystal engineering Location: Club C Chair: Seiji Tsuzuki Chair: Alessia Bacchi Introduction Introduction to session 2:50pm - 3:20pm Chemical crystallography, crystal structures Modulation of halogen, chalcogen and pnictogen bonds by σ-hole tunning 3:20pm - 3:50pm Chemical crystallography, crystal structures Benzothiadiazole-based luminescent stimuli-responsive materials: The role of “2S–2N” square synthon on their supramolecular arrangement and switchable behaviour 3:50pm - 4:10pm Bursary application Combining modified CCDC tools to predict multicomponent formation: co-crystals of nevirapine and benzoic derivatives 4:10pm - 4:30pm Chemical crystallography, crystal structures Gold(III) as an effective electrophilic site, namely coinage bond donor: assembly of AuCl4ˉ units into supramolecular anionic polymers 4:30pm - 4:50pm Bursary application Experimental and ab initio molecular dynamics study of hydrogen bond systems in selected crystals 4:50pm - 5:10pm Chemical crystallography, crystal structures Thermally Actuating Multifunctional Molecular Crystals |
MS-29: Texture, strain and structure in metals and ceramics Location: 223-4 Chair: David Rafaja Ivnited: Efthymios Polatidis (Switzerland), Jana Šmilauerová (Czech Republic) Introduction Introduction to session 2:50pm - 3:20pm Materials and minerals Tailoring the TRIP effect of austenitic stainless steels with selective laser melting 3:20pm - 3:50pm Materials and minerals Phase transformation pathway in Ti-15Mo studied by in situ synchrotron x-ray diffraction 3:50pm - 4:10pm Materials and minerals Microsecond time resolved X-ray diffraction for the fast determination of fatigue behavior beyond one billion cycles 4:10pm - 4:30pm Materials and minerals Mechanisms of elastic-plastic deformation in magnesium alloy studied using neutron diffraction and crystallite group method 4:30pm - 4:50pm Materials and minerals Texture and eco-piezoceramics 4:50pm - 5:10pm Materials and minerals Superhardness in boron carbide through nanostructuration |
MS-30: Magnetic structures of novel and functional materials Location: Club H Chair: Virginie Simonet Chair: Václav Petříček Invited: Wei Tian (USA), Jonathan White (Switzerland) Introduction Introduction to session 2:50pm - 3:20pm Physics and fundamental crystallography IInvestigating the nature of the magnetoelectric coupling in molecular (ND4)2[FeCl5(D2O)] via neutron scattering studies 3:20pm - 3:50pm Physics and fundamental crystallography Multi-k magnetic phases and topological charges in the candidate Weyl semimetal CeAlGe 3:50pm - 4:10pm Physics and fundamental crystallography Novel incommensurate magnetic phase in the magnetoelectric Sr-doped cobaltate CaBaCo4O7 4:10pm - 4:30pm Bursary application View outside the box: Supramolecular synthon and intermolecular interactions as a directing tool for shaping magnetic behaviour in design of supramolecular architectures of copper(II) complexes 4:30pm - 4:50pm Physics and fundamental crystallography Structural phase transition and magnetic phase diagram of the lacunar spinel GaMo4Se8 4:50pm - 5:10pm Physics and fundamental crystallography Neutron powder diffraction studies of magnetic transitions in Fe-based orthorhombic perovskites |
MS-31: Recent advances in instrumentation Location: Terrace 2B Chair: Ehrenfried Zschech Chair: Michele Cianci Invited: Wenbing Yun (USA), Andrew Thomson (France) Introduction Introduction to session 2:50pm - 3:20pm Methods and instruments Evolutions in Synchrotron based Integrated Structural Biology at SOLEIL 3:20pm - 3:40pm Methods and instruments Optimised high energy data collection in protein crystallography with a CdTe based detector 3:40pm - 4:00pm Methods and instruments The upgrade of ID29: a novel instrument for Time resolved serial crystallography experiment at the ESRF Extremely Brilliant Source 4:00pm - 4:20pm Methods and instruments Development of a high pressure option for neutron scattering experiments at low temperatures and high magnetic fields at the MLZ 4:20pm - 4:40pm Methods and instruments MetalJet X-ray Source for time resolved and in-situ SAXS 4:40pm - 5:10pm Methods and instruments Holistically Optimized Laboratory XAS Systems |
MS-32: Recent advances in electron crystallography techniques Location: Terrace 2A Chair: Jim Ciston Chair: Mauro Gemmi Invited: Hongyj Xu (Sweden), Emanuela Liberti (UK) Introduction Introduction to session 2:50pm - 3:20pm Methods and instruments Quantitative electron ptychography for simultaneous light and heavy elements atom counting 3:20pm - 3:50pm All topics Structure Determination of Biomolecules by 3D Electron Diffraction 3:50pm - 4:10pm Bursary application QCBED-DFT: Experimentally constrained density functional theory 4:10pm - 4:30pm Methods and instruments Precise lattice parameters through distortions refinement using circular harmonics 4:30pm - 4:50pm Methods and instruments Direct Imaging of Metal Additives on Au Nanocube Surface Using 4D-STEM 4:50pm - 5:10pm Methods and instruments Real space frequency analysis of electron diffuse scattering for lattice distortion determination in real crystals |
SMS-2: Exemplary practice in chemical, biological and materials database archiving Location: 221-2 Chair: Suzanna Ward Chair: Genji Kurisu Invited: Ian Bruno (UK), Stephen Burley (USA) Introduction Introduction to session 2:50pm - 3:20pm Special Sessions CSD One Million: Reasons why the crystallographic community is exemplary 3:20pm - 3:50pm All topics RCSB Protein Data Bank: Celebrating 50 years of the PDB with new tools for understanding and visualizing biological macromolecules in 3D 3:50pm - 4:15pm Special Sessions Behind the scenes - data processing and quality assurance for the ICSD 4:15pm - 4:40pm Special Sessions The Full Plate: Benefits of simulated and raw data digital patterns in the Powder Diffraction FileTM 4:40pm - 5:05pm Special Sessions Protein Data Bank Japan: 20 years and more as the Asian hub for 3D structure and the founding member of the wwPDB |
5:10pm - 6:10pm |
Afternoon break 2: Poster session A2, exhibition, coffee/tea Location: Exhibition and poster area |
Poster - 09 Automation in bio: Automation in biocrystallography Chair: Santosh Panjikar Chair: Melanie Vollmar
Poster session abstracts Poster session abstracts Biological and macromolecular crystallography A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs All topics Introducing the XtaLAB Synergy Flow Biological and macromolecular crystallography Macromolecular refinement at any resolution using shift field optimization and regularization Biological and macromolecular crystallography Faster turnaround of macromolecular crystallography research Biological and macromolecular crystallography Sails: automated model building of carbohydrates Biological and macromolecular crystallography Automated crystal shaping to facilitate native SAD phasing Biological and macromolecular crystallography XALOC, the MX beamline at ALBA synchrotron: Current status and perspectives |
Poster - 10: Solution scattering Chair: Frank Gabel Chair: Masaaki Sugiyama
Poster session abstracts Poster session abstracts All topics AUC-SAS: Integrated analysis of biomacromolecular structure with analytical ultracentrifugation (AUC) and small-angle scattering (SAS) All topics Establishment of basic techniques related to protein sample preparation for neutron scattering All topics Subunit dynamics in alpha-crystallin through deuteration-assisted small-angle neutron scattering All topics Dynamics of multi-domain protein ER-60 revealed by small angle X-ray scattering data and molecular dynamics simulations Biological and macromolecular crystallography Stoichiometric unfolding of bovine serum albumin by surfactant, as revealed from HPLC/SAXS with online observation of UV-Vis absorption and refractive index. Biological and macromolecular crystallography Sterol-crystallin interaction mediated by membranes Biological and macromolecular crystallography Study of protein-protein interactions of human E3 ubiquitin ligase NEDD4-2 using fluorescence spectroscopy Biological and macromolecular crystallography Determining the role of TIR domain of Interleukin-1 receptor 8 (SIGIRR) in regulating TLR4 signalling Bursary application Forbidden reflections induced by unit-cell elastic distortions in paratellurite crystals All topics A New Biological Small- and Wide-Angle X-ray Scattering Beamline Featured in High Flux, USAXS, and Microbeam at Taiwan Photon Source Biological and macromolecular crystallography Employing high-end X-ray technologies for laboratory structural biology in Centre of Molecular Structure All topics Aggregation Forms of Type I Collagen Studied by Simultaneous Small- and Wide-Angle X-ray Scattering |
Poster - 11 Viruses: Structural biology of viruses
Poster session abstracts Poster session abstracts Biological and macromolecular crystallography Structural Characterization of Endoribonuclease Nsp15 from SARS CoV-2 Biological and macromolecular crystallography PDBe-KB COVID-19 Data Portal - supporting rapid coronavirus research Biological and macromolecular crystallography 3DBionotes Covid-19 Edition Biological and macromolecular crystallography Crystal structure of the C24 protein from the Antarctic bacterium Bizionia argentinensis JUB59, a putative long tail fiber receptor-binding tip from a novel temperate bacteriophage Poster sessions The role of structural biology in pandemic`s puzzles: amino acids and short peptides as key players |
Poster - 12 Supramolecular: Theory and practice of supramolecular synthons in crystal engineering Chair: Alessia Bacchi Chair: Seiji Tsuzuki
Poster session abstracts Poster session abstracts Chemical crystallography, crystal structures Conformational polymorphism of a pharmaceutical cocrystal involving niflumic acid and caffeine Chemical crystallography, crystal structures Crystal structure studies, computational analysis, and hydrogen bonding attributes of halogen bonded sulfonyl Schiff bases Chemical crystallography, crystal structures Cocrystals of ethenzamide with polyphenols: Solid state characterization and preliminary evaluation of biopharmaceutical parameters. Bursary application Separation of Lutidine Isomers by Selective Enclathration Chemical crystallography, crystal structures Osme bond: anisotropic distribution of electron density in action Chemical crystallography, crystal structures Organic homomolecular crystals with the shortest period of about 4 Å: the role of halogen atoms according to the CSD statistics Chemical crystallography, crystal structures Electrostatic self-assembly of organic crystals from charged macrocycles Chemical crystallography, crystal structures Crystal engineering concepts in the design and synthesis of a series of novel, structurally related spin-crossover materials, characterized by variable temperature single crystal X-ray diffraction. Bursary application Synthesis, Crystal Structure, Vibrational Study and DFT Computation of Barium Dihydrogenomonophosphate Ba(H2PO4)2 Bursary application Tetrel bond: dipyridyl methylene as a donor site Bursary application The N-methylammonium moiety: A tetrel bond donor site |
Poster - 13 Data: Crystallographic data Chair: Olivier C. Gagné Chair: Anton Oliynyk
Poster session abstracts Poster session abstracts Bursary application X-ray structural analysis of crystalline materials at the XSA/Belok beamline at synchrotron radiation source of the Kurchatov institite Theory, computation, modelling, data, standards Using the Gold Standard for data archival at kilohertz speeds Theory, computation, modelling, data, standards DC7, A very efficient lattice comparison metric Bursary application Seed-skewness algorithm for x-ray diffraction signal detection in the time-resolved synchrotron Laue photocrystallography Poster sessions Metadata for better data - Growing and improving the Cambridge Structural Database Theory, computation, modelling, data, standards Chemical annotation in the Crystallography Open Database Theory, computation, modelling, data, standards Role of hydrogen bonding in modifications of impact sensitivities of high energetic materials: evidence from crystal structures and quantum chemical calculations Poster sessions Improvements to the data search and validation functionality in the Crystallography Open Database Biological and macromolecular crystallography A “post-mortem” analysis of radiation damage in the Protein Data Bank with the Bnet metric Special Sessions Data treatment and data storage at the BioSAXS beamline TPS 13A |
Poster - 14 Instrumentation: Advances in instrumentation Chair: Michele Cianci Chair: Ehrenfried Zschech
Poster session abstracts Poster session abstracts All topics MicroMAX – new opportunities in macromolecular crystallography Poster sessions Serial and Macromolecular Crystallography at beamline P11, Petra III Methods and instruments Non-attended data acquisition in the protein lab using the SCOUT sample changer Methods and instruments Beamline setup & calibration quality control for synchrotron MX beamlines Materials and minerals DanMAX – The new materials science beamline at MAX IV Methods and instruments Pushing the Limits of Microfocus X-Ray Sealed Tube Sources for Crystallography Methods and instruments Development of high-speed capillary spinner cell for in-situ powder diffraction under gas pressure control Methods and instruments Applications of X-ray diffraction for microcrystalline sample using the latest single crystal laboratory systems. Methods and instruments Home-made capillary mounting setup for shaky hands Methods and instruments Handling of radioactive materials prior to analysis by X-ray powder diffraction All topics The latest X-ray analysis solutions from Anton Paar Poster sessions Non-ambient X-ray diffraction – a further dimension in crystallography Poster sessions X-ray Corelab @HZB: A user lab for multi-purpose materials research All topics MGML - Materials Growth & Measurement Laboratory Poster sessions Core Facility for Crystallographic and Biophysical Research to support the development of medicinal products Methods and instruments Rigaku’s SmartLab XRD tool: All cutting-edge technologies in one instrument. |
Poster - 15 Films: Crystallographic analysis of thin films and surfaces Chair: Milan Dopita
Poster session abstracts Poster session abstracts All topics Investigating the crystallization behavior of Ge-rich GST PCMs with in-situ synchrotron XRD Materials and minerals Self-consistent diffraction stress analysis for estimating stress and composition of alloy films Poster sessions Twin domains of ScN (001) films on MgO (001) Materials and minerals Phase formations in tungsten carbide films deposited by reactive magnetron sputtering Materials and minerals Laboratory and synchrotron rocking curve imaging for crystal lattice misorientation mapping Materials and minerals Titanium surface modified by nitrogen ion implantation Poster sessions Ion implantation into ZrNb nanometric multilayers |
Poster - 16 Texture, defects: Texture, strain, stress, real structure Chair: David Rafaja
Poster session abstracts Poster session abstracts Materials and minerals X-ray peak profile analysis with variance method for the evaluation of dislocation microstructure of copper single crystals loaded in the gigacycle fatigue domain Materials and minerals Shape and lattice deformation contributions to powder scattering Materials and minerals Getting the most out of neutron powder diffraction - Revealing the microstructure evolution during sintering of magnetic nano-particles using parametric refinement Poster sessions Texture analysis of strongly oriented MAPbI3 layers using fast reciprocal-space mapping Materials and minerals Understanding the Residual Strain Distribution as a Function of Depth in Alumina/ Stainless Steel Brazing Joint Materials and minerals Induced ferroelectric phase transformation in polycrystalline BaTiO3 Methods and instruments High-resolution neutron three axis diffractometer for studies of elastic and plastic deformation of polycrystalline materials Poster sessions Microstrain and texture in rotary swaged W-Ni-Co pseudoalloy Poster sessions Deformation behavior of extruded ZN11 magnesium plate |
6:10pm - 7:00pm |
KN-10: Gjonnes medal lecture Location: Terrace 2A Chair: Louisa Meshi Ute Kolb, Sven Hovmöller Plenary and keynote The development of automated diffraction tomography Plenary and keynote Electron crystallography - from slow 2D of simple structures to rapid crystal structure determinations in 3D of very complex structures |
KN-11: Dithiadiazolyl radicals as building blocks for molecular magnetic materials Location: Terrace 2B Chair: Václav Petříček Delia Haynes Plenary and keynote Dithiadiazolyl radicals as building blocks for molecular materials |
KN-12: Structural hybrid methods to probe membrane transport nanomachines in pathogenic bacteria Location: Club A Chair: Julie Bouckaert Natalie Strynadka Plenary and keynote Hybrid structural methods to probe atomic features of the Type III Secretion Injectisome of Pathogenic Bacteria |
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7:15pm - 10:15pm |
IUCr-2: IUCr assembly Location: Club H Chair: Sven Lidin Chair: Luc Van Meervelt Chair: Alex Ashcroft IUCr assembly 2 |
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