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Session Overview | |
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Location: 221-2 60 2nd floor |
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| 9:00am - 4:30pm |
Workshop - WDQA: Data quality assesment Location: 221-2 Chair: Julian Henn |
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| 10:20am - 12:45pm |
SMS-1: Session in the memory of An-Pang Tsai: from quasicrystals to catalysis Location: 221-2 Chair: Marc de Boissieu Chair: Yasushi Ishii Introduction to session 10:25am - 10:45am An-Pang Tsai: an exceptional career from quasicrystals to catalysis 10:45am - 11:15am Structure of Tsai-type icosahedral quasicrystals 11:15am - 11:45am Heritage from Professor An Pang Tsai to the research field of metallic catalysis materials 11:45am - 12:05pm An Pang Tsai – a chemist 12:05pm - 12:25pm Epitaxial Thin Films on Tsai-type Quasicrystals 12:25pm - 12:45pm An-Pang Tsai, a scientist, inspirator and friend |
| 2:55pm - 5:55pm |
SF-1: Software Fayre 1 Location: 221-2 Chair: Martin Lutz EMDA - Tools for cryoEM map validation 3:40pm - 4:25pm MStruct - software for MicroStructure analysis by powder diffraction 4:25pm - 5:10pm Advanced tools for charge density refinement/modelling with MoProSuite 5:10pm - 5:55pm Software tools for flexibility and symmetry analysis of macromolecules |
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| 10:20am - 12:45pm |
SF-2: Software Fayre 2 Location: 221-2 Chair: Martin Lutz Using next generation ab initio models with AMPLE 11:05am - 11:50am What literature papers are related to my diffraction dataset? Pydatarecognition - a web project of the IUCr Journals and Columbia University 11:50am - 12:35pm SIMBAD: Sequence independent MR |
| 2:45pm - 5:10pm |
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 to session 2:50pm - 3:20pm CSD One Million: Reasons why the crystallographic community is exemplary 3:20pm - 3:50pm 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 Behind the scenes - data processing and quality assurance for the ICSD 4:15pm - 4:40pm The Full Plate: Benefits of simulated and raw data digital patterns in the Powder Diffraction FileTM 4:40pm - 5:05pm Protein Data Bank Japan: 20 years and more as the Asian hub for 3D structure and the founding member of the wwPDB |
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| 10:20am - 12:45pm |
MS-36: Generalizations of crystallographic groups and their applications Location: 221-2 Chair: Gregory L McColm Chair: Eden Delight Miro Invited: Pavel Kalouguine (France), Martin Cramer Pedersen (Denmark) Introduction to session 10:25am - 10:55am Behind the curve: Generating and analysing nets and tessellations on periodic minimalsurfaces in their universal covering space 10:55am - 11:25am Flat-branched semisimplicial complexes: a versatile tool for aperiodic solids 11:25am - 11:45am Coordinated Colorings and their Chromatic Groups 11:45am - 12:05pm Advances in the application of magnetic and non-magnetic superspace-group symmetry 12:05pm - 12:25pm Magnetic modes compatible with the symmetry of crystals |
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| 10:20am - 12:45pm |
SF-3: Software Fayre 3 Location: 221-2 Chair: Martin Lutz Chair: Claudia Millán Olex2 11:05am - 11:50am NoSpherA2: non-spherical form factors in Olex2 lamaGOET - an interface for quantum crystallography |
| 2:55pm - 5:55pm |
SF-4: Software Fayre 4 Location: 221-2 Chair: Martin Lutz Open slot 3:40pm - 4:25pm Atomic pair distribution function (PDF) in the cloud 4:25pm - 5:10pm Advanced modeling of nanostructure from Atomic Pair Distribution Functions (PDFs) using DiffpyCMI on Windows 10 5:10pm - 5:55pm Crystallography online by the Bilbao Crystallographic Server |
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| 1:45pm - 2:45pm |
ECA - SIG-4: ECA - SIG-4 Electron Crystallography Location: 221-2 |
| 2:55pm - 5:55pm |
SF-5: Software Fayre 5 Location: 221-2 Chair: Martin Lutz Chair: Claudia Millán Scipion-ed for electron crystallography 3:40pm - 4:25pm ConPlot: web-based tool for the visualization of protein contact maps and distograms integrated with other data 4:25pm - 5:10pm Topological analysis with ToposPro and TopCryst 5:10pm - 5:55pm DISCUS Diffuse Scattering and Structure Simulation |
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| 2:55pm - 5:55pm |
SF-6: Software Fayre 6 Location: 221-2 Chair: Martin Lutz Chair: Claudia Millán AUSPEX: Finding pathologies in macromolecular X-ray data 3:40pm - 4:25pm winPSSP: solving organic materials from powder diffraction 4:25pm - 5:10pm Eval15: Intensity integration of area detector images 5:10pm - 5:55pm Yell: Diffuse scattering analysis in single crystals |
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| 10:20am - 12:45pm |
SMS-7: Hydrogen rich compounds: design, properties & phase transitions at high pressures Location: 221-2 Chair: Artem R Oganov Chair: Alexander Goncharov Invited: Chris J. Pickard (UK), Dmitry Semenok (Russia) Introduction to session 10:25am - 10:55am Computational challenges in the search for better superconducting hydrides 10:55am - 11:25am Room-temperature superconductivity in compressed polyhydrides 11:25am - 11:55am Electronegativity and Mendeleev number: redefinition of two important atomic chemical descriptors |