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: 16th May 2024, 06:38:32pm CEST
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Session Overview | |
Location: 221-2 60 2nd floor |
Date: Saturday, 14/Aug/2021 | |
9:00am - 4:30pm | Workshop - WDQA: Data quality assesment Location: 221-2 Session Chair: Julian Henn |
Date: Sunday, 15/Aug/2021 | |
10:20am - 12:45pm | SMS-1: Session in the memory of An-Pang Tsai: from quasicrystals to catalysis Location: 221-2 Session Chair: Marc de Boissieu Session Chair: Yasushi Ishii |
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10:20am - 10:25am
ID: 1835 / SMS-1: 1 Introduction Oral/poster Introduction to session 10:25am - 10:45am
ID: 1661 / SMS-1: 2 Special Sessions Oral/poster Special sessions: Session in the memory of An-Pang Tsai: from quasicrystals to catalysis Keywords: quasicrystals; catalysis; intermetallics. An-Pang Tsai: an exceptional career from quasicrystals to catalysis Univ. Grenoble Alpes, CNRS, Grenoble INP, SIMAP F-38000, Grenoble France 10:45am - 11:15am
ID: 1037 / SMS-1: 3 Special Sessions Invited lecture to session Special sessions: Session in the memory of An-Pang Tsai: from quasicrystals to catalysis Keywords: Icosahedral quasicrystals, Tsai-type, Cd-Yb, structure solution Structure of Tsai-type icosahedral quasicrystals Division of Applied Physics, Faculty of Engineering, Hokkaido University, Sapporo, Japan 11:15am - 11:45am
ID: 1244 / SMS-1: 4 Special Sessions Invited lecture to session Special sessions: Session in the memory of An-Pang Tsai: from quasicrystals to catalysis Keywords: Catalyst, Quasicrystal, Metallurgy Heritage from Professor An Pang Tsai to the research field of metallic catalysis materials Tohoku University, Sendai, Japan 11:45am - 12:05pm
ID: 1667 / SMS-1: 5 Special Sessions Oral/poster Special sessions: Session in the memory of An-Pang Tsai: from quasicrystals to catalysis Keywords: An Pang Tsai, chemical properties, catalytic materials, chemical bonding An Pang Tsai – a chemist Max-Planck-Institut für Chemische Physik fester Stoffe, Dresden, Germany 12:05pm - 12:25pm
ID: 1200 / SMS-1: 6 Special Sessions Invited lecture to session Special sessions: Session in the memory of An-Pang Tsai: from quasicrystals to catalysis Keywords: Quasicrystals; Thin Films; C60, Pentacene, Scanning Tunnelling Microscope Epitaxial Thin Films on Tsai-type Quasicrystals The University of Liverpool, Liverpool, United Kingdom 12:25pm - 12:45pm
ID: 1846 / SMS-1: 7 Special Sessions Oral/poster Special sessions: Session in the memory of An-Pang Tsai: from quasicrystals to catalysis Keywords: An-Pang Tsai An-Pang Tsai, a scientist, inspirator and friend 1Lund University, Lund, Sweden; 2Lund University, Lund, Sweden |
2:55pm - 5:55pm | SF-1: Software Fayre 1 Location: 221-2 Session Chair: Martin Lutz |
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4:25pm - 5:10pm
ID: 1895 / SF-1: 3 Software Fayre Oral/poster Advanced tools for charge density refinement/modelling with MoProSuite CRM2 CNRS Université de Lorraine, Vandoeuvre les Nancy, France |
Date: Monday, 16/Aug/2021 | |
10:20am - 12:45pm | SF-2: Software Fayre 2 Location: 221-2 Session Chair: Martin Lutz |
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11:05am - 11:50am
ID: 1899 / SF-2: 2 Software Fayre Oral/poster What literature papers are related to my diffraction dataset? Pydatarecognition - a web project of the IUCr Journals and Columbia University 1Columbia University, New York, USA; 2International Union of Crystallography, Chester, United Kingdom |
2:45pm - 5:10pm | SMS-2: Exemplary practice in chemical, biological and materials database archiving Location: 221-2 Session Chair: Suzanna Ward Session Chair: Genji Kurisu Invited: Ian Bruno (UK), Stephen Burley (USA) |
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2:45pm - 2:50pm
ID: 1836 / SMS-2: 1 Introduction Oral/poster Introduction to session 2:50pm - 3:20pm
ID: 1341 / SMS-2: 2 Special Sessions Invited lecture to session Special sessions: Exemplary practice in chemical, biological and materials database archiving Keywords: data, community, standards, FAIR, CSD CSD One Million: Reasons why the crystallographic community is exemplary The Cambridge Crystallographic Data Centre, Cambridge, United Kingdom 3:20pm - 3:50pm
ID: 1629 / SMS-2: 3 All topics Invited lecture to session Special sessions: Exemplary practice in chemical, biological and materials database archiving Keywords: Protein Data Bank, Macromolecular Structure, Open Access RCSB Protein Data Bank: Celebrating 50 years of the PDB with new tools for understanding and visualizing biological macromolecules in 3D Rutgers, The State University of New Jersey, Piscataway, United States of America 3:50pm - 4:15pm
ID: 1332 / SMS-2: 4 Special Sessions Invited lecture to session Special sessions: Exemplary practice in chemical, biological and materials database archiving Keywords: data curation; crystal structures; databases; inorganic chemistry; metalorganic chemistry Behind the scenes - data processing and quality assurance for the ICSD FIZ Karlsruhe - Leibniz-Institut für Informationsinfrastruktur, Eggenstein-Leopoldshafen, Germany 4:15pm - 4:40pm
ID: 1314 / SMS-2: 5 Special Sessions Invited lecture to session Special sessions: Exemplary practice in chemical, biological and materials database archiving Keywords: database, raw data, PXRD, powder diffraction The Full Plate: Benefits of simulated and raw data digital patterns in the Powder Diffraction FileTM International Centre for Diffraction Data, Newtown Square, United States of America 4:40pm - 5:05pm
ID: 1637 / SMS-2: 6 Special Sessions Oral/poster Special sessions: Exemplary practice in chemical, biological and materials database archiving Keywords: Protein Data Bank; Cambridge Structural Database; worldwide PDB Protein Data Bank Japan: 20 years and more as the Asian hub for 3D structure and the founding member of the wwPDB Osaka University, Osaka, Japan |
Date: Tuesday, 17/Aug/2021 | |
10:20am - 12:45pm | MS-36: Generalizations of crystallographic groups and their applications Location: 221-2 Session Chair: Gregory L McColm Session Chair: Eden Delight Miro Invited: Pavel Kalouguine (France), Martin Cramer Pedersen (Denmark) |
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10:20am - 10:25am
ID: 1765 / MS-36: 1 Introduction Oral/poster Introduction to session 10:25am - 10:55am
ID: 726 / MS-36: 2 Theory, computation, modelling, data, standards Invited lecture to session MS: Generalizations of crystallographic groups and their applications Keywords: hyperbolic geometry, symmetry groups, chemical nets, graph embeddings, minimal surfaces Behind the curve: Generating and analysing nets and tessellations on periodic minimalsurfaces in their universal covering space 1Niels Bohr Institute, University of Copenhagen; 2Department of Food Science, University of Copenhagen; 3School of Chemistry, University of Sydney 10:55am - 11:25am
ID: 1203 / MS-36: 3 Physics and fundamental crystallography Invited lecture to session MS: Generalizations of crystallographic groups and their applications Keywords: aperiodic solids, quasicrystals, matching rules, diffraction, density Flat-branched semisimplicial complexes: a versatile tool for aperiodic solids 1Laboratoire de Physique des Solides, Université Paris-Saclay, Orsay, France; 2Directeur de recherche honoraire, CNRS, France 11:25am - 11:45am
ID: 354 / MS-36: 4 Bursary application Oral/poster MS: Generalizations of crystallographic groups and their applications Keywords: local and global color symmetry, coordinated colorings, chromatic groups Coordinated Colorings and their Chromatic Groups 1Southern Luzon State University - Lucena Campus, Lucena City, 4301, Philippines; 2Department of Mathematics and Physics, Central Luzon State University, Science City of Munoz, Nueva Ecija 3120, Philippines; 3Department of Mathematics, Ateneo de Manila University, Quezon City, Metro Manila 1108, Philippines Bibliography
A.K.M. Abila, M.L.A.N. De Las Peñas, and E.C. Taganap. “Local and global color symmetries of a symmetrical pattern”, Acta Crystallographica Section A: Foundations and Advances 75(5). 11:45am - 12:05pm
ID: 978 / MS-36: 5 Theory, computation, modelling, data, standards Oral/poster MS: Generalizations of crystallographic groups and their applications Keywords: magnetic superspace group, superspace symmetry detection, incommensurate, isotropy subgroup Advances in the application of magnetic and non-magnetic superspace-group symmetry Brigham Young University, Physics & Astronomy, Provo, Utah, USA 12:05pm - 12:25pm
ID: 1107 / MS-36: 6 Theory, computation, modelling, data, standards Oral/poster MS: Methods and software developments for magnetic-structure analysis, Generalizations of crystallographic groups and their applications, Crystal structure prediction Keywords: symmetry, magnetic ordering, magnetic groups, neutron diffraction Magnetic modes compatible with the symmetry of crystals University of Warsaw, Warsaw, Poland |
Date: Wednesday, 18/Aug/2021 | |
10:20am - 12:45pm | SF-3: Software Fayre 3 Location: 221-2 Session Chair: Martin Lutz Session Chair: Claudia Millán |
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2:55pm - 5:55pm | SF-4: Software Fayre 4 Location: 221-2 Session Chair: Martin Lutz |
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2:55pm - 3:40pm
ID: 1906 / SF-4: 1 Software Fayre Oral/poster Open slot Utrecht University, Utrecht, Netherlands, The |
Date: Thursday, 19/Aug/2021 | |
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 Session Chair: Martin Lutz Session Chair: Claudia Millán |
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3:40pm - 4:25pm
ID: 1908 / SF-5: 2 Software Fayre Oral/poster ConPlot: web-based tool for the visualization of protein contact maps and distograms integrated with other data University of Liverpool, Liverpool, United Kingdom |
Date: Friday, 20/Aug/2021 | |
2:55pm - 5:55pm | SF-6: Software Fayre 6 Location: 221-2 Session Chair: Martin Lutz Session Chair: Claudia Millán |
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Date: Saturday, 21/Aug/2021 | |
10:20am - 12:45pm | SMS-7: Hydrogen rich compounds: design, properties & phase transitions at high pressures Location: 221-2 Session Chair: Artem R Oganov Session Chair: Alexander Goncharov Invited: Chris J. Pickard (UK), Dmitry Semenok (Russia) |
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10:20am - 10:25am
ID: 1841 / SMS-7: 1 Introduction Oral/poster Introduction to session 10:25am - 10:55am
ID: 1010 / SMS-7: 2 Physics and fundamental crystallography Invited lecture to session MS: Hydrogen rich compounds: design, properties & phase transitions at high pressures Keywords: Superconductivity, Hydrides, computation, theory Computational challenges in the search for better superconducting hydrides University of Cambridge, Cambridge, United Kingdom 10:55am - 11:25am
ID: 633 / SMS-7: 3 Physics and fundamental crystallography Invited lecture to session MS: Hydrogen rich compounds: design, properties & phase transitions at high pressures Keywords: superconductivity, high-pressure, hydrides, diamond anvil cells Room-temperature superconductivity in compressed polyhydrides Skolkovo Institute of Science and Technology, Moscow, Russian Federation 11:25am - 11:55am
ID: 1664 / SMS-7: 4 Chemical crystallography, crystal structures Oral/poster MS: Crystal structure prediction Keywords: Electronegativity, atomic, chemical, Mendeleev number Electronegativity and Mendeleev number: redefinition of two important atomic chemical descriptors Skoltech, Moscow, Russian Federation |
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