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, 12:08:11am CET
|
|
|
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 Chair: Xiaodong Zou Chair: Louisa Meshi 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 Chair: John Richard Helliwell Chair: Selina Lea Sophie Storm Invited: Danny Axford (UK), Aina Cohen (USA) Introduction Introduction to session 10:25am - 10:55am Theory, computation, modelling, data, standards Next-generation Automation and Remote-access Crystallography 10:55am - 11:25am Theory, computation, modelling, data, standards Strength in Numbers: Exploiting the space between single crystal oscillation and serial femtosecond crystallography 11:25am - 11:45am Theory, computation, modelling, data, standards Towards High-Throughput Autonomous Infrared Spectromicroscopy 11:45am - 12:05pm Theory, computation, modelling, data, standards Strategy in the age of 360° sweeps 12:05pm - 12:25pm Bursary application Exploring the mechanism of elastically flexible crystals by automatic analysis Bursary application Finding the optimal resolution cutoff with PAIREF |
| 2:45pm - 5:10pm |
MS-12: Quantum crystallographic studies on intra/inter-molecular interactions Location: Club H Chair: Anna Maria Makal Chair: Chérif F. Matta Invited: Jacob Overgaard (Denmark), Benoit Guillot (France) Introduction Introduction to session 2:50pm - 3:20pm Theory, computation, modelling, data, standards Beyond multipolar pseudoatom transferability: accounting for intermolecular polarization effects in protein-ligand complexes. 3:20pm - 3:50pm Theory, computation, modelling, data, standards Using advanced X-ray and neutron diffraction techniques in single molecule magnets research 3:50pm - 4:10pm Chemical crystallography, crystal structures Use of transferrable multipoles to extend the range of X-ray charge density study to variable-temperature and high pressure 4:10pm - 4:30pm All topics NCI-ELMO: towards a more quantitative description of non-covalent interactions in macromolecules 4:30pm - 4:50pm Bursary application Organic eutectics: characterization, microstructural evolution, and properties. 4:50pm - 5:10pm All topics Strength and nature of host-guest interactions in metal-organic frameworks from a quantum chemical perspective |
| 7:15pm - 10:15pm |
IUCr: IUCr assembly Location: Club H Chair: Sven Lidin Chair: Alex Ashcroft 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 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 |
| 12:45pm - 2:45pm |
Meeting ECA1: ECA Council Meeting Location: Club H Chair: Udo Heinemann 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 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 |
| 7:15pm - 10:15pm |
IUCr-2: IUCr assembly Location: Club H Chair: Sven Lidin Chair: Luc Van Meervelt 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 Chair: Eugene Krissinel Chair: Christian Bertram Hübschle Invited: Mois Ilia Aroyo (Spain), Victor Lamzin (Germany) Introduction Introduction to session 10:25am - 10:55am Special Sessions Symmetry database of International Tables online 10:55am - 11:25am All topics Macromolecular Model Building Over the Web 11:25am - 11:45am Special Sessions Live monitoring onsite, remote and unattended data collection on synchrotron MX beamlines 11:45am - 12:05pm Special Sessions Introduction to invariant-based machine learning for periodic crystals 12:05pm - 12:25pm All topics Solving Macromolecular Structures Online with CCP4 12:25pm - 12:45pm General interest eSPC, an Online Data Analysis Platform for Molecular Biophysics |
| 12:45pm - 2:45pm |
ECA-ECM: ECM programme committees Location: Club H 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 Chair: Nicolae Strungaru Chair: Uwe Grimm Invited: Chrizaldi Neil Manibo (Germany), Ella Mara Schmidt (Germany) Introduction Introduction to session 10:25am - 10:55am Bursary application The mathematics of absolutely continuous diffraction 10:55am - 11:25am Bursary application Mean field theory calculations to model single crystal diffuse scattering 11:25am - 11:45am Physics and fundamental crystallography KOSSEL LINES AND X-RAY LOCALIZED CONICAL MODES 11:45am - 12:05pm Physics and fundamental crystallography Characterization of the correlated disorder in Ge2Bi4Te7 12:05pm - 12:25pm Methods and instruments Tuning of disordered local structure in Prussian Blue analogues 12:25pm - 12:45pm Physics and fundamental crystallography Implementation for coping with sample and instrument effects for reverse Monte Carlo modelling of total scattering data |
| 12:45pm - 2:45pm |
Meeting ECA2: ECA Council Meeting Location: Club H Chair: Udo Heinemann 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 Chair: Tatiana Gorelik Chair: Xiaodong Zou Invited: Paul Voyles (USA), Cheuk-Wai Tai (Sweden) Introduction Introduction to session 2:50pm - 3:20pm All topics Approximate Rotational Symmetries in Electron Nanodiffraction from Amorphous Materials 3:20pm - 3:50pm Methods and instruments Local structure analysis by pair distribution function obtained from a TEM 3:50pm - 4:10pm All topics Quantitative analysis of diffuse electron scattering in the lithium-ion battery cathode material Li1.2Ni0.13Mn0.54Co0.13O2 4:10pm - 4:30pm Bursary application High-Throughput Electron Diffraction Reveals a Hidden Novel Metal-Organic Framework 4:30pm - 4:50pm Methods and instruments Scanning Nano-Structure Electron Microscopy - Hidden Potential for Evolving Systems 4:50pm - 5:10pm Methods and instruments Information theory based plane symmetry classifications: revealing pseudo-symmetries in the presence of noise |
| Date: Thursday, 19/Aug/2021 | |
| 10:20am - 12:45pm |
MS-64: In-situ and time resolved electron crystallography Location: Club H Chair: Andrew Alexander Stewart Chair: Eva Olsson Invited: David Flannigan (USA), Maria Batuk (Belgium) Introduction Introduction to session 10:25am - 10:55am Methods and instruments Following structure evolution of SrFeOx in redox reactions using in situ 3D electron diffraction 10:55am - 11:25am Methods and instruments Time-resolved TEM beyond fast detectors 11:25am - 11:50am Bursary application Time resolved x-ray diffraction studies of prospective crystalline materials under dynamic ultrasonic loads 11:50am - 12:15pm Methods and instruments Discovering and transforming precipitate phases in aluminium alloys using in situ transmission electron microscopy 12:15pm - 12:40pm Bursary application Elucidation of Linker Motion in Metal-Organic Frameworks by Three-Dimensional Electron Diffraction |
| 1:00pm - 2:30pm |
Meeting - Quantum: Commission on Quantum Crystallography Open Meeting Location: Club H 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 Chair: Stephen K. Burley Chair: Dina Schneidman Invited: Andrej Sali (USA), Fei Xu (China) Introduction Introduction to session 2:50pm - 3:20pm Biological and macromolecular crystallography Crystal structure of the first orphan GPCR 3:20pm - 3:50pm Biological and macromolecular crystallography From integrative structural biology to cell biology 3:50pm - 4:10pm Biological and macromolecular crystallography Crystal and Cryo-EM structures provide insight into how pro-neurodegenerative SARM1 is activated and cleave NAD+. 4:10pm - 4:30pm Bursary application Structural studies of Cysteine Synthase Complex obtained from Klebsiella pneumoniae. 4:30pm - 4:50pm Biological and macromolecular crystallography Crystal structure of a complex between the electron-transfer partners arsenite oxidase and cytochrome c552, from the arsenite respiring bacterium Rhizobium sp. NT-26. 4:50pm - 5:10pm Biological and macromolecular crystallography Structural evidence for active site complementation and diverse oligomerization in two bacterial α-L-Fucosidases from the same organism |
| 7:50pm - 10:15pm |
IUCr-3: IUCr assembly Location: Club H Chair: Sven Lidin Chair: Luc Van Meervelt 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 Chair: Gilberto Artioli Chair: Sebastian Bette Invited: Katrien Keune (Netherlands), Christoph Berthold (Germany) Introduction Introduction to session 10:25am - 10:55am Materials and minerals Operation Night Watch: macro- and microscale X-ray imaging studies on the Rembrandts’ masterpiece The Night Watch in the Rijksmuseum. 10:55am - 11:25am Methods and instruments X-ray Microdiffraction of Cultural Heritage: Potentials und Limitations 11:25am - 11:45am All topics XRPD as a tool for the study of pigment-binder interactions: from metal formates to long-chain carboxylates 11:45am - 12:05pm Bursary application Effects of soft tissue on the crystallographic changes to bone mineral upon heating 12:05pm - 12:25pm All topics A multidisciplinary study unveils the nature of a Roman ink of the I century AD 12:25pm - 12:45pm General interest A new tool for ancient artefact conservation studies: Electron Diffraction Tomography to study blue corrosion product in Chinese Bronze sample |
| 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 Chair: Alicja Rafalska-Lasocha Chair: Petr Bezdicka Invited: Koen Janssens (Belgium), Sebastian Bette (Germany) Introduction Introduction to session 2:50pm - 3:20pm General interest Fingerprinting Natural Ultramarine in 15th-17th century Netherlandish paintings 3:20pm - 3:50pm All topics The variety of calcium bearing efflorescence phases - An explanation by crystal chemistry 3:50pm - 4:10pm General interest Why is heptagonal symmetry so rare in art and architecture? 4:10pm - 4:30pm All topics Crystallography vs. human masterpiece: Li20Mg6Cu13Al42, Mg9Ni6Ga14 and Mg3Ni2Ga structures vs. ivory puzzle balls 4:30pm - 4:50pm General interest Information theory based symmetry classifications of more or less 2D periodic patterns in Islamic building ornaments and Hans Hinterreiter’s graphic art 4:50pm - 5:10pm All topics Laboratory X-ray powder diffraction as a useful tool for identification of pigments and degradation products in portrait miniatures painted on ivory |
| Date: Saturday, 21/Aug/2021 | |
| 10:20am - 12:45pm |
MS-96: Crystallography schools to promote interdisciplinarity in science Location: Club H Chair: Alice Brink Chair: Serena Chiara Tarantino Invited: Diego German Lamas (Argentina), Marielle Yasmine Agbahoungbata (Benin) Introduction Introduction to session 10:25am - 10:55am General interest Crystallography schools and other educational activities in Latin America during the COVID-19 pandemic 10:55am - 11:25am General interest X-TechLab training sessions in Benin: towards borderless science education 11:25am - 11:45am General interest Crystallographic education in real and reciprocal spacechromechrome 11:45am - 12:05pm General interest Teaching crystallographic symmetry in Latin America. A 10-year review and perspectives. 12:05pm - 12:25pm General interest High impact crystallography skills development through local undergraduate curriculum and regional workshops and schools 12:25pm - 12:45pm General interest Crystallography for all – Using the CSD to help promote interdisciplinarity in science |
Contact and Legal Notice · Contact Address:  Privacy Statement · Conference: IUCr 2021 | August 14 - 22, 2021 | Prague, Czech Republic |
Conference Software: ConfTool Pro 2.8.103+TC+CC © 2001–2024 by Dr. H. Weinreich, Hamburg, Germany |