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: 1st Nov 2024, 12:15:10am CET
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Session Overview | |
Location: Club H 100 1st floor |
Date: Saturday, 14/Aug/2021 | |
2:00pm - 5:00pm | School - Electron 4: Electron Crystallography School Location: Club H Session Chair: Xiaodong Zou Session Chair: Louisa Meshi Session Chair: Lukáš Palatinus |
Date: Sunday, 15/Aug/2021 | |
10:20am - 12:45pm | MS-7: High troughput vs. careful planning: How to get the best data? Location: Club H Session Chair: John Richard Helliwell Session Chair: Selina Lea Sophie Storm Invited: Danny Axford (UK), Aina Cohen (USA) |
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10:20am - 10:25am
Introduction to session Finding the optimal resolution cutoff with PAIREF 1Czech Technical University in Prague, Czech Republic, Faculty of Nuclear Sciences and Physical Engineering; 2Institute of Biotechnology of the Czech Academy of Sciences, Biocev; 3University of Konstanz; 4University of Chemical and Technology Prague, Department of Biochemistry and Microbiology |
2:45pm - 5:10pm | MS-12: Quantum crystallographic studies on intra/inter-molecular interactions Location: Club H Session Chair: Anna Maria Makal Session Chair: Chérif F. Matta Invited: Jacob Overgaard (Denmark), Benoit Guillot (France) |
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2:45pm - 2:50pm
Introduction to session 3:50pm - 4:10pm
Use of transferrable multipoles to extend the range of X-ray charge density study to variable-temperature and high pressure 1Rudjer Bošković Institute, Zagreb, Croatia; 2Jagiellonian University, Krakow, Poland; 3Novosibirsk State University, Novosibirsk, Russian Federation; 4Universite de Lorraine, Nancy, France 4:10pm - 4:30pm
NCI-ELMO: towards a more quantitative description of non-covalent interactions in macromolecules 1CNRS & University of Lorraine, Laboratory of Theoretical Physics and Chemistry, UMR CNRS 7019, 1 Boulevard Arago, 57078 Metz, France; 2CNRS & Sorbonne University, Laboratory of Theoretical Chemistry, UMR CNRS 7616, 4 Place Jussieu, 75005 Paris, France 4:30pm - 4:50pm
Organic eutectics: characterization, microstructural evolution, and properties. 1Solid State & Structural Chemistry Unit, Indian Institute of Science, Bengaluru 560012, India; 2Chemistry and Physics of Materials Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Bengaluru 560064, India; 3Molecular Biophysics Unit, Indian Institute of Science, Bengaluru 560012, India. 4:50pm - 5:10pm
Strength and nature of host-guest interactions in metal-organic frameworks from a quantum chemical perspective 1Heidelberg Institute for Theoretical Studies (HITS gGmbH), 69118 Heidelberg, Germany; 2Interdisciplinary Center for Scientific Computing, Heidelberg University, 69120 Heidelberg, Germany |
7:15pm - 10:15pm | IUCr: IUCr assembly Location: Club H Session Chair: Sven Lidin Session Chair: Alex Ashcroft Session Chair: Luc Van Meervelt IUCr assembly 1 Videos: Finance report -
Part 2 |
Date: Monday, 16/Aug/2021 | |
10:20am - 12:45pm | MS-24: Data-driven discovery in crystallography Location: Club H Session Chair: Olivier C. Gagné Session Chair: Anton Oliynyk Invited: Wenhao Sun (USA), Aria Mansouri Tehrani (Switzerland) |
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10:20am - 10:25am
Introduction to session 11:25am - 11:45am
Beyond the constraints of chemistry: Crystal structure discovery in particle simulations 1University of Michigan, Ann Arbor, MI, USA; 2Cornell University, Ithaca, NY, USA; 3University of California, San Francisco, CA, USA; 4Argonne National Laboratory, Argonne, IL, USA; 5Friedrich-Alexander University Erlangen-Nürnberg, Erlangen, Germany 12:25pm - 12:45pm
Study of noncovalent interactions using crystal structure data in the Cambridge Structural Database 1Innovation center of the Faculty of Chemistry, Belgrade, Serbia; 2Institute of Chemistry, Technology and Metallurgy, University of Belgrade, Belgrade, Serbia; 3Faculty of Chemistry, Belgrade University, Belgrade, Serbia |
12:45pm - 2:45pm | Meeting ECA1: ECA Council Meeting Location: Club H Session Chair: Udo Heinemann Session Chair: Arie van der Lee ECA council meeting 1 |
2:45pm - 5:10pm | MS-30: Magnetic structures of novel and functional materials Location: Club H Session Chair: Virginie Simonet Session Chair: Václav Petříček Invited: Wei Tian (USA), Jonathan White (Switzerland) |
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2:45pm - 2:50pm
Introduction to session 2:50pm - 3:20pm
IInvestigating the nature of the magnetoelectric coupling in molecular (ND4)2[FeCl5(D2O)] via neutron scattering studies Oak Ridge National Laboratory, Oak Ridge, United States of America 3:50pm - 4:10pm
Novel incommensurate magnetic phase in the magnetoelectric Sr-doped cobaltate CaBaCo4O7 1Comisión Nacional de Energía Atómica–Laboratorio Argentino de Haces de Neutrones, Centro Atómico Bariloche, Av. Bustillo 9500 R8402AGP, S. C. de Bariloche, Argentina; 2Laboratorio de Cristalografía Aplicada, Escuela de Ciencia y Tecnología, Universidad Nacional de San Martín, Martín de Irigoyen 3100, Campus Miguelete, San Martín (1650), Buenos Aires, Argentin; 3Instituto de Nanociencia y Nanotecnología CNEA-CONICET, Centro Atómico Bariloche, Av. Bustillo 9500 R8402AGP, S. C. de Bariloche, Argentina; 4Instituto Balseiro, Universidad Nacional de Cuyo - Comisión Nacional de Energía Atómica, Av. Bustillo 9500 R8402AGP, S. C. de Bariloche, Argentina; 5Instituto de Ciencia de Materiales de Aragón (CSIC - Universidad de Zaragoza) and Departamento de Física de Materia Condensada, Universidad de Zaragoza. C/Pedro Cerbuna 12, E-50009 Zaragoza, Spain; 6Institut Laue Langevin. 71, Av des Martyrs, BP 156 F-38042 Grenoble, France; 7Laboratory for Neutron Scattering and Imaging, Paul Scherrer Institut, CH-5232 Villigen PSI, Switzerland; 8Comisión Nacional de Energa Atómica and CONICETLaboratorio Argentino de Haces de Neutrones. Centro Atómico Bariloche, Av. Bustillo 9500 R8402AGP, S. C. de Bariloche, Argentina 4:30pm - 4:50pm
Structural phase transition and magnetic phase diagram of the lacunar spinel GaMo4Se8 1Diffraction group, Institut Laue-Langevin (ILL) Grenoble, France; 2Department of Physics, University of Liverpool, United Kingdom; 3Department of Chemistry, University of Liverpool, United Kingdom |
7:15pm - 10:15pm | IUCr-2: IUCr assembly Location: Club H Session Chair: Sven Lidin Session Chair: Luc Van Meervelt Session Chair: Alex Ashcroft IUCr assembly 2 |
Date: Tuesday, 17/Aug/2021 | |
10:20am - 12:45pm | SMS-3: Online crystallography: Tools, apps and web services Location: Club H Session Chair: Eugene Krissinel Session Chair: Christian Bertram Hübschle Invited: Mois Ilia Aroyo (Spain), Victor Lamzin (Germany) |
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10:20am - 10:25am
Introduction to session 10:25am - 10:55am
Symmetry database of International Tables online 1eFaber Soluciones Inteligentes SL., Bilbao (Spain); 2Institute of Applied Geosciences, Karlsruhe Institute of Technology, Karlsruhe (Germany); 3Editorial Office, International Union of Crystallography, Chester (England); 4Departamento de Física, Universidad del País Vasco UPV/EHU, Bilbao (Spain) 10:55am - 11:25am
Macromolecular Model Building Over the Web EMBL, Hamburg, Germany |
12:45pm - 2:45pm | ECA-ECM: ECM programme committees Location: Club H Session Chair: Sylvain Ravy ECM programme committee meetings -Versaille,Padova |
Date: Wednesday, 18/Aug/2021 | |
10:20am - 12:45pm | MS-44: Beyond pure point diffraction: Theory and application of diffuse scattering Location: Club H Session Chair: Nicolae Strungaru Session Chair: Uwe Grimm Invited: Chrizaldi Neil Manibo (Germany), Ella Mara Schmidt (Germany) |
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10:20am - 10:25am
Introduction to session |
12:45pm - 2:45pm | Meeting ECA2: ECA Council Meeting Location: Club H Session Chair: Udo Heinemann Session Chair: Arie van der Lee ECA council meeting 2 |
2:45pm - 5:10pm | MS-56: Analysis of the fine structure in electron diffraction data Location: Club H Session Chair: Tatiana Gorelik Session Chair: Xiaodong Zou Invited: Paul Voyles (USA), Cheuk-Wai Tai (Sweden) |
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2:45pm - 2:50pm
Introduction to session 3:50pm - 4:10pm
Quantitative analysis of diffuse electron scattering in the lithium-ion battery cathode material Li1.2Ni0.13Mn0.54Co0.13O2 1University of Antwerp, Department of Physics, Electron Microscopy for Materials Science (EMAT), Groenenborgerlaan 171, B-2020 Antwerp, Belgium; 2Friedrich-Alexander-Universität Erlangen-Nürnberg, Department of Physics, Institute of Condensed Matter Physics, Schloßplatz 4, 91054 Erlangen, Germany 4:30pm - 4:50pm
Scanning Nano-Structure Electron Microscopy - Hidden Potential for Evolving Systems 1Department of Applied Physics and Applied Mathematics, Columbia University, New York, NY, USA; 2Department of Materials Science and Engineering, Johns Hopkins University, Baltimore, MD, USA; 3NanoMEGAS SPRL, Belgium; 4Department of Materials Science and Engineering, University of California Riverside, Riverside, CA, USA; 5Condensed Matter Physics and Materials Science Department, Brookhaven National Laboratory, Upton, NY, USA |
Date: Thursday, 19/Aug/2021 | |
10:20am - 12:45pm | MS-64: In-situ and time resolved electron crystallography Location: Club H Session Chair: Andrew Alexander Stewart Session Chair: Eva Olsson Invited: David Flannigan (USA), Maria Batuk (Belgium) |
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10:20am - 10:25am
Introduction to session 11:50am - 12:15pm
Discovering and transforming precipitate phases in aluminium alloys using in situ transmission electron microscopy 1Monash Centre for Electron Microscopy, Monash University, Australia; 2Department of Materials Science and Engineering, Monash University, Australia; 3Electron Microscopy for Materials Research, University of Antwerp, Belgium; 4Department of Materials, University of Oxford, UK; 5Thermofisher Scientific, The Netherlands |
1:00pm - 2:30pm | Meeting - Quantum: Commission on Quantum Crystallography Open Meeting Location: Club H Session Chair: Paulina Maria Dominiak |
2:45pm - 5:10pm | MS-66: Integrative structural biology: The next 50 years of the Protein Data Bank Location: Club H Session Chair: Stephen K. Burley Session Chair: Dina Schneidman Invited: Andrej Sali (USA), Fei Xu (China) |
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2:45pm - 2:50pm
Introduction to session 2:50pm - 3:20pm
Crystal structure of the first orphan GPCR ShanghaiTech University, Shanghai, China, People's Republic of 3:50pm - 4:10pm
Crystal and Cryo-EM structures provide insight into how pro-neurodegenerative SARM1 is activated and cleave NAD+. 1Griffith University, Southport, Australia; 2University of Queensland, Brisbane, Australia; 3Evotec Ltd, Abingdon, Oxfordshire, UK; 4Disarm Therapeutics, a wholly-owned subsidiary of Eli Lilly & Co., Cambridge, USA 4:10pm - 4:30pm
Structural studies of Cysteine Synthase Complex obtained from Klebsiella pneumoniae. 1Unité de Glycobiologie Structurale et Fonctionnelle, UMR 8576, CNRS, 50 Avenue Halley, 59650 Villeneuve d'Ascq, France; 2Biotechnology Department, Jaypee Institute of Information Technology (JIIT), A-10, sector-62 NOIDA, 201309, India 4:30pm - 4:50pm
Crystal structure of a complex between the electron-transfer partners arsenite oxidase and cytochrome c552, from the arsenite respiring bacterium Rhizobium sp. NT-26. 1School of Chemistry and The Bio21 Instittute Molecular Sciences and Biotechnology Institute, The University of Melbourne, Parkville, 3052, Australia; 2Institute of Structural and Molecular Biology, Division of Biosciences, University College London, London WC1E 6BT, United Kingdom; 3Department of Biochemistry and Genetics, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, Australia 4:50pm - 5:10pm
Structural evidence for active site complementation and diverse oligomerization in two bacterial α-L-Fucosidases from the same organism 1Institute of Biotechnology of the Czech Academy of Sciences, 25250 Vestec, Czech Republic; 2University of Chemistry and Technology, 166 28 Prague, Czech Republic |
7:50pm - 10:15pm | IUCr-3: IUCr assembly Location: Club H Session Chair: Sven Lidin Session Chair: Luc Van Meervelt Session Chair: Alex Ashcroft IUCr assembly 3 |
Date: Friday, 20/Aug/2021 | |
10:20am - 12:45pm | MS-78: Science meets art: X-ray spectrometry and X-ray diffraction in art and archaeology Location: Club H Session Chair: Gilberto Artioli Session Chair: Sebastian Bette Invited: Katrien Keune (Netherlands), Christoph Berthold (Germany) |
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10:20am - 10:25am
Introduction to session 11:25am - 11:45am
XRPD as a tool for the study of pigment-binder interactions: from metal formates to long-chain carboxylates 1Institute of Inorganic chemistry of the Czech Academy of Sciences, Husinec-Řež 1001, 250 68 Husinec-Řež, Czech Republic; 2Institute of Macromolecular Chemistry of the Czech Academy of Sciences, Heyrovského nám. 2, 162 06, Praha 6, Czech Republic 12:05pm - 12:25pm
A multidisciplinary study unveils the nature of a Roman ink of the I century AD 1CERIC-ERIC, Basovizza, Trieste, Italy; 2Elettra Sincrotrone Trieste S.C.p.A, Basovizza, Trieste, Italy; 3Nuclear Science and Instrumentation Laboratory, Physics section, IAEA, Seibersdorf, Austria; 4Department of Engineering and Architecture, University of Trieste, Trieste, Italy; 5Department of Chemical and Pharmaceutical Sciences, University of Trieste, Trieste, Italy; 6Museo Nazionale Atestino, Este, Padova, Italy 12:25pm - 12:45pm
A new tool for ancient artefact conservation studies: Electron Diffraction Tomography to study blue corrosion product in Chinese Bronze sample 1NanoMEGAS SPRL, Rue Émile Claus 49 bte 9, 1050, Brussels, Belgium; 2Center for Nanotechnology Innovation@NEST, Istituto Italiano di Tecnologia, Piazza San Silvestro 12, 56127, Pisa, Italy; 3Institute of Cultural Heritage, Shandong University, 72 Jimo Binhailu, Qingdao 266237, China |
1:00pm - 2:30pm | ECA - SIG-2: ECA - SIG-2 Quantum Crystallography Location: Club H |
2:45pm - 5:10pm | MS-85: Science meets art: Crystallography and cultural heritage Location: Club H Session Chair: Alicja Rafalska-Lasocha Session Chair: Petr Bezdicka Invited: Koen Janssens (Belgium), Sebastian Bette (Germany) |
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2:45pm - 2:50pm
Introduction to session 4:10pm - 4:30pm
Crystallography vs. human masterpiece: Li20Mg6Cu13Al42, Mg9Ni6Ga14 and Mg3Ni2Ga structures vs. ivory puzzle balls 1Ivan Franko National University of Lviv, Lviv, Ukraine; 2Częstochowa Jan Długosz University, Częstochowa, Poland; 3Karlsruhe Institute of Technology, Karlsruhe, Germany 4:50pm - 5:10pm
Laboratory X-ray powder diffraction as a useful tool for identification of pigments and degradation products in portrait miniatures painted on ivory 1Institute of Inorganic chemistry of the Czech Academy of Sciences, ALMA Laboratory, Husinec-Řež 1001, 250 68 Husinec-Řež, Czech Republic; 2Academy of Fine Arts in Prague, ALMA Laboratory, Veletržní 65, 170 00 Praha 7, Czech Republic |
Date: Saturday, 21/Aug/2021 | |
10:20am - 12:45pm | MS-96: Crystallography schools to promote interdisciplinarity in science Location: Club H Session Chair: Alice Brink Session Chair: Serena Chiara Tarantino Invited: Diego German Lamas (Argentina), Marielle Yasmine Agbahoungbata (Benin) |
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10:20am - 10:25am
Introduction to session 10:55am - 11:25am
X-TechLab training sessions in Benin: towards borderless science education 1Agence de Développement de Sèmè City, Cotonou, Benin; 2Commissariat à l’Energie Atomique et aux Energies Alternatives (CEA), France; 3University of Pavia, Italy; 4TriSEED Consultants, LLC, Hillsborough, NC, USA |
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