Session Overview | |
Location: Terrace 2B 100 2nd floor |
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9:00am - 9:50am | KN-2: The symbiosis of cryo-EM and X-ray crystallography in structure determination of large macromolecular systems Location: Terrace 2B Session Chair: Marcin Nowotny Holger Stark |
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Atomic resolution structure determination by cryo-EM – where are the limits? Max-Planck-Institute for biophysical chemistry, Goettingen, Germany External Resource: https://www.xray.cz/iucrv/vidp.asp?id=42
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10:20am - 12:45pm | MS-6: Application of electron crystallography to functional materials Location: Terrace 2B Session Chair: Holger Klein Session Chair: Karla Balzuweit Invited: Mauro Gemmi (Italy), Maria Roslova (Germany) |
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10:20am - 10:25am
Introduction to session 10:25am - 10:55am
3D electron diffraction on nanoparticles with a complex structure. 1Center for Nanotechnology Innovation@NEST, Istituto Italiano di Tecnologia, Pisa, Italy; 2Department of Nanochemistry, Istituto Italiano di Tecnologia, Genova, Italy External Resource: https://www.xray.cz/iucrv/vidp.asp?id=422
10:55am - 11:25am
Reliable structure determination of K-intercalated RuCl3 nanoflakes by 3D electron crystallography and multivariate analysis of fused EELS and EDX spectrum images 1Department of Materials and Environmental Chemistry, Stockholm University, Stockholm, Sweden; 2Department of Physics, Technische Universität Dresden, Germany; 3Institute for Solid State and Materials Research (IFW) Dresden, Germany; 4Institute of Physics, University of Amsterdam, The Netherlands External Resource: https://www.xray.cz/iucrv/vidp.asp?id=423
11:25am - 11:50am
3D-ΔPDF from electron diffraction data 1Inorganic Chemistry, University of Oxford, United Kingdom; 2Department of Structural Analysis, Institute of Physics of the CAS, Prague, Czechia; 3Institute of Inorganic Chemistry of the Leibniz University Hannover, Germany; 4Kristallographie und Strukturphysik, Friedrich-Alexander-Universität, Erlangen, Germany External Resource: https://www.xray.cz/iucrv/vidp.asp?id=424
11:50am - 12:15pm
Electron diffraction for the promotion of stable and green metal-organic frameworks 1Stockholm University, Stockholm, Sweden; 2IMDEA Energy, Madrid, Spain; 3Universidad Nacional Autónoma de México, Mexico City, Mexico External Resource: https://www.xray.cz/iucrv/vidp.asp?id=425
12:15pm - 12:40pm
Crystal structure of the Al78Mn17.5Pt4.5 phase as revealed by electron crystallography 1Ben Gurion University of the Negev, Beer Sheva, Israel; 2MaTecK GmbH, 52428 Jülich, Germany; 3Peter-Grünberg-Institut, Forschungszentrum Jülich, 52425 Jülich, Germany External Resource: https://www.xray.cz/iucrv/vidp.asp?id=426
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2:45pm - 5:10pm | MS-14: Perovskites Location: Terrace 2B Session Chair: Chris Ling Session Chair: Philip Lightfoot Invited: James Rondinelli (USA), Joke Hadermann (Belgium) |
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2:45pm - 2:50pm
Introduction to session 2:50pm - 3:20pm
Uncovering hidden complexity in oxygen deficient perovskites University of Antwerp, Antwerpen, Belgium External Resource: https://www.xray.cz/iucrv/vidp.asp?id=133
3:20pm - 3:50pm
Understanding the thermal expansion in layered perovskite chalcogenides Northwestern University, Evanston, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=134
3:50pm - 4:10pm
Octahedral tilting in Prussian blue analogues 1Max Planck Institute for Solid State Research, Germany; 2Uppsala Universitet, Sweden; 3Queen Mary University of London, UK External Resource: https://www.xray.cz/iucrv/vidp.asp?id=135
4:10pm - 4:30pm
Evidence for pressure induced ‘morphotropic’, octahedral tilt and ‘reentrant’ ferroelectric transitions in (Pb0.5Bi0.5)(Ti0.5Fe0.5)O3 1Indian Institute of Technology (Banaras Hindu University), Varanasi 221005, India; 2PETRA III, Deutsches Elektronen-Synchrotron (DESY), 22607 Hamburg, Germany External Resource: https://www.xray.cz/iucrv/vidp.asp?id=136
4:30pm - 4:50pm
In situ imaging of ferroelastic domain dynamics in CsPbBr3 perovskite nanowires by nanofocused scanning X‑ray diffraction 1Synchrotron Radiation Research and NanoLund, Lund University, 22100 Lund, Sweden; 2Center for Nanophotonics, AMOLF, 1098 XG Amsterdam, Netherlands; Department of Materials; 3Interfaces, Weizmann Institute of Science, Rehovot 76100, Israel; 4MAX IV Laboratory, Lund University, 22100 Lund, Sweden; 5Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Young Investigator Group Hybrid Materials Formation and Scaling, 12489 Berlin, Germany; 6Division of Chemical Physics and NanoLund, Lund University, 22100 Lund, Sweden External Resource: https://www.xray.cz/iucrv/vidp.asp?id=137
4:50pm - 5:10pm
Unraveling the mysterious intermediate state in Zr-rich PbZr1-xTixO3 1Electronic Materials Research Laboratory, Xi'an Jiaotong University, Xi'an, China, People's Republic of; 2Institute of Physics of the Czech Academy of Sciences, Prague, Czech Republic; 3Department of Physics, Chiba University, Chiba City, Japan; 4Department of Physics, University of Oxford, Oxford, United Kingdom; 5Department of Physics, University of Warwick, Coventry, United Kingdom; 6Department of Chemistry and 4D LABS, Simon Fraser University, Burnaby, Canada External Resource: https://www.xray.cz/iucrv/vidp.asp?id=138
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6:10pm - 7:00pm | KN-4: Crystal forms in pharmaceutical applications Location: Terrace 2B Session Chair: Marijana Đaković Susan Reutzel-Edens |
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Crystal forms in pharmaceutical applications: Olanzapine, a gift to crystal chemistry that keeps on giving 1Cambridge Crystallographic Data Centre, Cambridge, United Kingdom; 2AbbVie, North Chicago, IL USA External Resource: https://www.xray.cz/iucrv/vidp.asp?id=60
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9:00am - 9:50am | KN-8: Order and disorder in metal-ion battery materials Location: Terrace 2B Session Chair: Radovan Cerny Artem Abakumov |
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Order and disorder in metal-ion battery materials Skolkovo Institute of Science and Technology, Moscow, Russian Federation External Resource: https://www.xray.cz/iucrv/vidp.asp?id=64
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10:20am - 12:45pm | MS-18a: Phase transitions in complex materials (structure and magnetism) I Location: Terrace 2B Session Chair: Yuichi Shimakawa Session Chair: Alexandra Gibbs Invited: Midori Amano Patino (Japan), Patrick Woodward (USA) |
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10:20am - 10:25am
Introduction to session 10:25am - 10:55am
Phase Transitions in Hybrid Layered Halide Perovskites – Hydrogen Bonding Meets Octahedral Tilting Ohio State University, Columbus, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=153
10:55am - 11:25am
Complex A-site magnetism in quadruple perovskite materials 1ICR, Kyoto University, JP; 2Hakubi Center for Advanced Research, Kyoto University, JP; 3Institute of Materials Structure Science, KEK, JP; 4ISIS Neutron and Muon Source, UK; 5Department of Physics, University of Oxford, UK; 6CSEC, The University of Edinburgh, UK External Resource: https://www.xray.cz/iucrv/vidp.asp?id=154
11:25am - 11:45am
Charge order-disorder crossover and Co-O bond anomalies in the Co3O2BO3 ludwigite 1quot;Gleb Wataghin" Institute of Physics, University of Campinas (UNICAMP), Campinas, São Paulo, 13083-859, Brazilb Wataghin” Institute of Physics, University of Campinas (UNICAMP); 2Instituto de Física, Universidade Federal Fluminense, Campus da Praia Vermelha, Niterói, RJ, 24210-346, Brazil; 3European Synchrotron Radiation Facility, 38043 Grenoble, France; 4Instituto de Física, Universidade Federal do Rio Grande do Sul (UFRGS), Porto Alegre, RS, 90040-060, Brazil; 5Institut Laue Langevin, 38042 Grenoble, France; 6Institut Néel / CNRS-UJF, 38042 Grenoble, France; 7Departamento de Física , Universidade Federal de Minas Gerais, Belo Horizonte, MG, 31270-901, Brazil External Resource: https://www.xray.cz/iucrv/vidp.asp?id=155
11:45am - 12:05pm
Competition between spin-orbit coupling and molecular orbital crystal in pyrochlore ruthenate In2Ru2O7 1ISIS Neutron and Muon Source, Didcot, United Kingdom; 2Max Planck Institute for Solid State Research, Stuttgart, Germany; 3Institute for Functional Matter and Quantum Technologies, University of Stuttgart, Stuttgart, Germany; 4School of Chemistry, University of St Andrews, St Andrews, United Kingdom; 5Department of Physics, University of Tokyo, Tokyo, Japan External Resource: https://www.xray.cz/iucrv/vidp.asp?id=156
12:05pm - 12:25pm
Cation order and magnetic behaviour in mixed metal bismuth scheelite Bi3FeMo2O12 1School of Chemistry, University of Sydney, Sydney, NSW 2006, Australia; 2Department of Chemistry & Biochemistry, University of South Carolina, 1212 Greene Street, Columbia, SC 29208; 3Australian Centre for Neutron Scattering, ANSTO, New Illawarra Road, Lucas Heights NSW 2234, Australia External Resource: https://www.xray.cz/iucrv/vidp.asp?id=157
12:25pm - 12:45pm
Correlated disorder-to-order crossover in the local structure of KxFe2-ySe2-zSz superconductor 1Brookhaven National Laboratory, Upton, NY, United States of America; 2IESL FORTH, Heraklion, Greece; 3University of Erlangen-Nuremberg, Erlangen, Germany.; 4Oak Ridge National Laboratory, Oak Ridge, TN, United States External Resource: https://www.xray.cz/iucrv/vidp.asp?id=158
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2:45pm - 5:10pm | MS-31: Recent advances in instrumentation Location: Terrace 2B Session Chair: Ehrenfried Zschech Session Chair: Michele Cianci Invited: Wenbing Yun (USA), Andrew Thomson (France) |
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2:45pm - 2:50pm
Introduction to session 2:50pm - 3:20pm
Evolutions in Synchrotron based Integrated Structural Biology at SOLEIL Synchrotron SOLEIL, St Aubin, France External Resource: https://www.xray.cz/iucrv/vidp.asp?id=245
3:20pm - 3:40pm
Optimised high energy data collection in protein crystallography with a CdTe based detector 1Diamond Light Source, Didcot, United Kingdom; 2EMBL Hamburg, Germany, Germany External Resource: https://www.xray.cz/iucrv/vidp.asp?id=246
3:40pm - 4:00pm
The upgrade of ID29: a novel instrument for Time resolved serial crystallography experiment at the ESRF Extremely Brilliant Source ESRF - The European Synchrotron, Grenoble, France External Resource: https://www.xray.cz/iucrv/vidp.asp?id=247
4:00pm - 4:20pm
Development of a high pressure option for neutron scattering experiments at low temperatures and high magnetic fields at the MLZ 1Jülich Centre for Neutron Science-2/Peter Grünberg-Institute-4, Forschungszentrum Jülich GmbH, 52425 Jülich, Germany; 2Institute for Crystallography, RWTH Aachen University, 52056 Aachen, Germany; 3Jülich Centre for Neutron Science at Heinz Maier-Leibnitz Zentrum, Forschungszentrum Jülich GmbH, 85747 Garching, Germany; 4Heinz Maier-Leibnitz Zentrum, Technische Universität München, 85747Garching, Germany; 5Physik-Department E21, Technische Universität München, 85748 Garching, Germany External Resource: https://www.xray.cz/iucrv/vidp.asp?id=248
4:20pm - 4:40pm
MetalJet X-ray Source for time resolved and in-situ SAXS Excillum, Kista, Sweden External Resource: https://www.xray.cz/iucrv/vidp.asp?id=249
4:40pm - 5:10pm
Holistically Optimized Laboratory XAS Systems Sigray, Inc., concord, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=244
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6:10pm - 7:00pm | KN-11: Dithiadiazolyl radicals as building blocks for molecular magnetic materials Location: Terrace 2B Session Chair: Václav Petříček Delia Haynes |
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Dithiadiazolyl radicals as building blocks for molecular materials Stellenbosch University, Stellenbosch, South Africa External Resource: https://www.xray.cz/iucrv/vidp.asp?id=33
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9:00am - 9:50am | KN-14: Quantum crystallography and spintronic materials Location: Terrace 2B Session Chair: Krzysztof Wozniak Piero Macchi |
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Quantum crystallography and spintronic materials POLITECNICO DI MILANO, MILANO, Italy External Resource: https://www.xray.cz/iucrv/vidp.asp?id=36
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10:20am - 12:45pm | MS-39: Quantum crystallography in materials science Location: Terrace 2B Session Chair: Simon Grabowsky Session Chair: Jean-Michel Gillet Invited: Rebecca Scatena (UK), Cherif Matta (Canada) |
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10:20am - 10:25am
Introduction to session 10:25am - 10:55am
Formate-mediated Magnetic Superexchange in the Model Hybrid Perovskite [(CH3)2NH2]Cu(HCOO)3: Applicability criteria for the GKA rules 1University of Oxford, Oxford, United Kingdom; 2Polytechnic of Milan, Milan, Italy; 3University College London, London, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=290
10:55am - 11:25am
The Electric Field of ATP-Synthase 1Département de chimie, Université Laval, Québec, QC, Canada G1V0A6; 2Department of Chemistry and Physics, Mount Saint Vincent University, Halifax, NS, Canada B3M2J6; 3Chemical Computing Group (CCG), Sherbrooke Street West, Montreal, QC, Canada H3A2R7; 4Department of Chemistry, Saint Mary's University, Halifax, NS, Canada B3H3C3 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=291
11:25am - 11:45am
Thermal stability of Glass forming Metal-Organic Framework: Role of metal-ligand bonding 1Center for Materials Crystallography, Department of Chemistry and iNano, Aarhus University, Aarhus 8000, Denmark; 2Faculty of Pure and Applied Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8571, Japan External Resource: https://www.xray.cz/iucrv/vidp.asp?id=292
11:45am - 12:05pm
Chemical bonding origin of the thermoelectric power factor in Half-Heusler semiconductors Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=293
12:05pm - 12:25pm
Towards the measurement of bonding electron densities in nanostructured materials 1Department of Materials Science, Monash University, Victoria 3800, Australia; 2Department of Physics, Norwegian University of Science and Technology (NTNU), Trondheim, Norway; 3School of Engineering and Applied Sciences, Harvard University, Cambridge, USA; 4Department of Physics, Chalmers University of Technology, Gothenburg, Sweden; 5Monash Centre for Electron Microscopy, Monash University, Victoria 3800, Australia. External Resource: https://www.xray.cz/iucrv/vidp.asp?id=294
12:25pm - 12:45pm
Towards accurate positions of hydrogen atoms bonded to heavy metal atoms University of Warsaw, Warsaw, Poland External Resource: https://www.xray.cz/iucrv/vidp.asp?id=295
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9:00am - 9:50am | KN-17: In-situ and In-operando diffraction Studies of Li Ion Battery Electrodes Location: Terrace 2B Session Chair: Radovan Cerny Gwenaelle Rousse |
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In-situ and In-operando diffraction Studies of Li Ion Battery Electrodes Sorbonne Université - Collège de France, PARIS cedex 5, France External Resource: https://www.xray.cz/iucrv/vidp.asp?id=39
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10:20am - 12:45pm | MS-43: Solid state reactions and dynamics Location: Terrace 2B Session Chair: Franziska Emmerling Session Chair: Javier Marti-Rujas Invited: Hiroyoshi Ohtsu (Japan), Paolo Pio Mazzeo (Italy) |
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10:20am - 10:25am
Introduction to session 10:25am - 10:55am
Stepwise evolution of molecular nanoaggregates inside the pores of a highly flexible Metal-Organic Framework. 1Dipartimento di Scienze Chimiche, della Vita e della Sostenibilità Ambientale, Università di Parma, Viale delle Scienze, 17A, 43124 Parma (Italy); 2Biopharmanet-TEC, Università degli studi di Parma via Parco Area delle Scienze 27/A, 43124 Parma (Italy); 3Elettra—Sincrotrone Trieste S.S. 14 Km 163.5 in Area Science Park, 34149 Basovizza—Trieste (Italy); 4Centro Interuniveristario di Reattività Chimica e Catalisi (CIRCC) Via Celso Ulpiani 27, 70126 Bari (Italy) External Resource: https://www.xray.cz/iucrv/vidp.asp?id=319
10:55am - 11:25am
Kinetic assembly of coordination networks creates flexible and functional materials Tokyo Institute of Technology, Meguro-ku, Tokyo, Japan External Resource: https://www.xray.cz/iucrv/vidp.asp?id=320
11:25am - 11:45am
In-situ XRD and PDF investigation of battery fluoride materials MF3.3H2O (M = Fe, Cr) in controlled atmosphere: accessing new phases with controlled chemistry 1Malvern Panalytical B.V., Almelo, Netherlands, The; 2School of Chemical Science and Engineering, Royal Institute of Technology, Teknikringen 42, SE 100 44 Stockholm, Sweden; 3Université Grenoble Alpes, Institut Néel, F-38042 Grenoble, France External Resource: https://www.xray.cz/iucrv/vidp.asp?id=321
11:45am - 12:05pm
Light- and temperature-induced linkage isomerism in a series of NiII, CuII and CoIII complexes in the solid state 1Department of Chemistry, University of Warsaw, Żwirki i Wigury 101, 02-089 Warsaw, Poland; 2Department of Chemistry, Warsaw University of Technology, Noakowskiego 3, 00-664 Warsaw, Poland; 3CRM2, Jean Barriol Institute, CNRS UMR 7036, University of Lorraine, BP 70239, Boulevard des Aiguillettes, 54506 Vandoeuvre-lès-Nancy, France External Resource: https://www.xray.cz/iucrv/vidp.asp?id=322
12:05pm - 12:25pm
Studies of the functional characteristics of adaptive X-ray optical elements based on combination of longitudinal and transverse acoustic waves in wide frequency ranges 1NRC “Kurchatov institute”, 1, Akademika Kurchatova pl., Moscow, Russia, 123182; 2FSRC “Crystallography and photonics” RAS, 59, Leninskii pr., Moscow, Russia, 119333; 3Institute of Applied Problems of Physics NAS of Armenia, 25, Hrachya Nersissian Str., Yerevan, Republic of Armenia, 0014; 4Tomsk Polytechnic University, 30, Lenin Avenue, Tomsk, Russia, 634050 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=323
12:25pm - 12:45pm
In situ control of Photochromic properties with dual photoreactive soft crystal Department of Chemistry, Tokyo Institute of Technology, Tokyo, Japan External Resource: https://www.xray.cz/iucrv/vidp.asp?id=324
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2:45pm - 5:10pm | MS-54: Materials for energy conversion and storage Location: Terrace 2B Session Chair: Jean-Marc Joubert Session Chair: Stefan Adams Invited: Yaroslav Filinchuk (Belgium), Kent Griffith (USA) |
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2:45pm - 2:50pm
Introduction to session 2:50pm - 3:20pm
Accessing micro- and macroscopic pictures of gas adsorption by in situ powder diffraction 1UCLouvain, Louvain-la-Neuve, Belgium; 2École normale supérieure, Paris, France; 3SNBL/ESRF, Grenoble, France External Resource: https://www.xray.cz/iucrv/vidp.asp?id=378
3:20pm - 3:50pm
Parallel and serial reduction pathways in complex oxide lithium-ion battery anodes Northwestern University, Evanston, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=379
3:50pm - 4:10pm
Metal hydroborates as solid-state electrolytes University of Geneva, Geneva, Switzerland External Resource: https://www.xray.cz/iucrv/vidp.asp?id=380
4:10pm - 4:30pm
Atomistic modelling as a complementary tool for diffraction studies Australian Nuclear Science and Technology Organisation, Lucas Heights, Australia External Resource: https://www.xray.cz/iucrv/vidp.asp?id=381
4:30pm - 4:50pm
Degradation mechanisms and thermal stability of of vacancy-free Na2Fe[Fe(CN)6]: The impact of water and guest cations Uppsala University, Uppsala, Sweden External Resource: https://www.xray.cz/iucrv/vidp.asp?id=382
4:50pm - 5:10pm
Structure-properties correlations unlocked through exquisitely sensitive powder diffraction 1Stony Brook University; 2Brookhaven National Laboratory External Resource: https://www.xray.cz/iucrv/vidp.asp?id=383
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6:10pm - 7:00pm | KN-20: The benefits of Scanning Precession Electron Diffraction to access to the crystallographic phases and orientations of nanomaterials Location: Terrace 2B Session Chair: Louisa Meshi Edgar Rauch |
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The benefits of Scanning Precession Electron Diffraction to access to the crystallographic phases and orientations of nanomaterials University Grenoble Alpes - CNRS, Saint Martin d'Hères, France External Resource: https://www.xray.cz/iucrv/vidp.asp?id=43
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9:00am - 9:50am | KN-23: Novel insights on biomineralization using x-rays and optical coherent diffraction based imaging Location: Terrace 2B Session Chair: Juan Manuel Garcia-Ruiz Virginie Chamard |
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Novel insights on biomineralization using x-rays and optical coherent diffraction based imaging approaches Aix-Marseille Univ, CNRS, Centrale Marseille, Institut Fresnel, Marseille, France External Resource: https://www.xray.cz/iucrv/vidp.asp?id=46
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10:20am - 12:45pm | MS-57: Neutron scattering - sources, applications Location: Terrace 2B Session Chair: Matthew Paul Blakeley Session Chair: Flora Meilleur Session Chair: Esko Oksanen Invited: Gloria Borgstahl (USA), Svetlana Antonyuk (UK) |
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10:20am - 10:25am
Introduction to session 10:25am - 10:55am
Direct detection of concerted proton and electron transfer in human manganese superoxide dismutase 1University of Nebraska Medical Center, Omaha, Nebraska, United States of America; 2Oak Ridge National Laboratory, Tennessee, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=396
10:55am - 11:25am
Damage-free structures of green copper nitrite reductase obtained by neutron crystallography and XFEL Molecular Biophysics Group, ISMIB, Faculty of Health and Life Sciences; University of Liverpool, UK External Resource: https://www.xray.cz/iucrv/vidp.asp?id=397
11:25am - 11:45am
Modelling and refinement of hydrogens: new developments in CCP4 1King's College London, London, United Kingdom; 2MRC Laboratory of Molecular Biology, Cambridge, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=398
11:45am - 12:05pm
Finding the Goldilocks zone for chemical crystallography via Laue single-crystal neutron diffraction – what have we learned from KOALA to improve KOALA 2.0? ANSTO, Lucas Heights, Australia External Resource: https://www.xray.cz/iucrv/vidp.asp?id=399
12:05pm - 12:25pm
An automatised hydrogen orientation procedure for neutron protein crystallography 1Division of Theoretical Chemistry, Lund University, Chemical Centre, P.O. Box 124, SE-221 00 Lund, Sweden; 2European Spallation Source ESS ERIC, Lund, Sweden External Resource: https://www.xray.cz/iucrv/vidp.asp?id=400
12:25pm - 12:50pm
Amplifying hydrogen: neutron diffraction using Dynamic Nuclear Polarization 1Oak Ridge National Laboratory, Oak Ridge, United States of America; 2St. Jude Children’s Research Hospital, Memphis, United States of America; 3North Carolina State University, Raleigh, United States of America; 4Institute of Physics, Chinese Academy of Sciences, Beijing, China |
2:45pm - 5:10pm | MS-67: Crystallization mechanisms of small molecule systems Location: Terrace 2B Session Chair: Duane Choquesillo-Lazarte Invited: Ian Rosbottom (UK), Aurora Cruz-Cabeza (UK) |
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2:45pm - 2:50pm
Introduction to session 2:50pm - 3:20pm
CAN MOLECULAR FLEXIBILITY CONTROL CRYSTALLISATION? University of Manchester, Manchester, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=466
3:20pm - 3:50pm
Molecular, Solid-State and Surface Structures of the Conformational Polymorphic Forms of Ritonavir in Relation to their Physicochemical Properties School of Chemical and Process Engineering, University of Leeds, LS2 9JT External Resource: https://www.xray.cz/iucrv/vidp.asp?id=467
3:50pm - 4:10pm
Bridging the nucleation step – the link of molecular interactions in dilute solutions and the crystal structure University of Manchester, Manchester, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=468
4:10pm - 4:30pm
Controlling polymorphism of pharmaceutical cocrystals via polymer assisted cocrystallization in continuous processes Department of Drug Forms Technology, Wroclaw Medical University, Wroclaw, Poland External Resource: https://www.xray.cz/iucrv/vidp.asp?id=469
4:30pm - 4:50pm
Crystallization of anionic small molecules with the help of a cation screen University of Zurich, Zurich, Switzerland External Resource: https://www.xray.cz/iucrv/vidp.asp?id=470
4:50pm - 5:10pm
The Future of Co-crystallisation: A New Workflow Based on AI Predictions, the Crystal16 Platform and Electron Diffraction 1Technobis Crystallization Systems B.V., Alkmaar, The Netherlands; 2ELDICO Scientific AG, 5234 Villigen, Switzerland; 3TeraCrystal, Cluj Napoca, Romania External Resource: https://www.xray.cz/iucrv/vidp.asp?id=471
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6:10pm - 7:00pm | KN-27: The crystal and the rose: On the impact of crystals and crystallography in art and mind Location: Terrace 2B Session Chair: Abel MORENO Juan Manuel García-Ruiz |
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The crystal and the rose: On the impact of crystals and crystallography on arts and mind Laboratorio de Estudios Cristalográficos. Consejo Superior de Investigaciones Cientificas-Universidad de Granada External Resource: https://www.xray.cz/iucrv/vidp.asp?id=50
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9:00am - 9:50am | KN-29: Crystal engineering of adaptive smart materials: from mechanical bending to self-healing Location: Terrace 2B Session Chair: Masaki Kawano Malla Reddy |
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Crystal engineering of adaptive smart materials: from mechanical bending to self-healing Indian Institute of Science Education and Research (IISER) Kolkata, Mohanpur, 741246, India External Resource: https://www.xray.cz/iucrv/vidp.asp?id=52
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10:20am - 12:45pm | MS-73: Machine learning in biological and structural sciences Location: Terrace 2B Session Chair: Rita Giordano Session Chair: Harold Roger Powell Invited: Melanie Vollmar (UK), Sergei Grudinin (France) |
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10:20am - 10:25am
Introduction to session 10:25am - 10:55am
Predicting experimental phasing success for data triaging 1Diamond Light Source, Didcot, United Kingdom; 2Rosalind Franklin Institute, Didcot, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=511
10:55am - 11:25am
Deep learning entering the post-protein structure prediction era : new horizons for structural biology Univ. Grenoble Alpes, CNRS, Grenoble INP, LJK, 38000 Grenoble, France External Resource: https://www.xray.cz/iucrv/vidp.asp?id=512
11:25am - 11:45am
How machine learning can supplement traditional quality indicators - and the human eye: A case study 1Universität Hamburg, Germany; 2Julius-Maximilians-Universität Würzburg, Germany External Resource: https://www.xray.cz/iucrv/vidp.asp?id=513
11:45am - 12:05pm
Learning structure-energy relationships for the prediction of molecular crystal structures University of Southampton, Southampton, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=514
12:05pm - 12:25pm
New generalized crystallographic descriptors for structural machine learning University of Edinburgh, Edinburgh, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=515
12:25pm - 12:45pm
Analysis of pre-edge XANES spectra of Fe:SiO4 system by using machine learning methods. Southern Federal University, Rostov-on-Don, Russian Federation External Resource: https://www.xray.cz/iucrv/vidp.asp?id=516
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2:45pm - 5:10pm | MS-87: Topological materials Location: Terrace 2B Session Chair: Yugui Yao Session Chair: Wenhui Duan Session Chair: Avadh B. Saxena Invited: Tomasz Dietl (Poland), Xiang Li (China) |
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2:45pm - 2:50pm
Introduction to session 2:50pm - 3:20pm
Phase separations and nematicity of transition metal impurities 1International Research Centre MagTop, Insitute of Physics, Polisha Academy of Sciences, Warsaw, Poland; 2WPI-Advanced Institute for Materials Research, Tohoku University, Sendai 980-8577, Japan External Resource: https://www.xray.cz/iucrv/vidp.asp?id=591
3:20pm - 3:50pm
Pressure-induced phase transitions and superconductivity in a black phosphorus single crystal Beijing Institute of Technology, Beijing, China, People's Republic of External Resource: https://www.xray.cz/iucrv/vidp.asp?id=592
3:50pm - 4:10pm
Unconventional states and topological defects in Fe-langasite Zernike Institute for Advanced Materials, University of Groningen, The Netherlands External Resource: https://www.xray.cz/iucrv/vidp.asp?id=593
4:10pm - 4:30pm
Magnetic excitations and structure of the topological semimetal YbMnSb2 1University of Oxford, Oxford, United Kingdom; 2Institute of Physics, École Polytechnique Fédéral de Lausanne, Switzerland; 3School of Physical Science and Technology, ShanghaiTech University, China; 4Institut Laue Langevin (ILL), France External Resource: https://www.xray.cz/iucrv/vidp.asp?id=594
4:30pm - 4:50pm
Occupancy disorder and magnetism in tetradymite based topological insulators 1Technical University Dresden, Dresden, Germany; 2Institute for Solid State and Materials Physics, TU Dresden, Germany; 3Leibniz Institute for Solid State and Materials Research, Dresden, Germany; 4University of Amsterdam, Amsterdam, The Netherlands External Resource: https://www.xray.cz/iucrv/vidp.asp?id=595
4:50pm - 5:10pm
Topological analysis of local heteropolyhedral substitutions in the eudialyte-related structures 1Laboratory of Nature-Inspired Technologies and Environmental Safety of the Arctic, Kola Science Centre, Russian Academy of Sciences, Apatity, Russian Federation; 2Geological Institute, Kola Science Centre, Russian Academy of Sciences, Apatity, Russian Federation; 3Samara Center for Theoretical Materials Science, Samara State Technical University, Samara, Russian Federation; 4Institute of Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka, Russian Federation; 5Faculty of Geology, Moscow State University, Vorobievy Gory, Moscow, Russian Federation; 6Nanomaterials Research Centre, Kola Science Center, Russian Academy of Sciences, Apatity, Russian Federation; 7Department of Crystallography, Institute of Earth Sciences, St Petersburg State University, St Petersburg, Russian Federation External Resource: https://www.xray.cz/iucrv/vidp.asp?id=596
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6:10pm - 7:00pm | KN-32: Crystallography and cultural heritage - On beauty, science and passion Location: Terrace 2B Session Chair: Jose Miguel Delgado Gilberto Artioli |
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Crystallography and cultural heritage - On beauty, science and passion Università di Padova, Padova, Italy External Resource: https://www.xray.cz/iucrv/vidp.asp?id=56
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9:00am - 9:50am | KN-36: Metadata and checkCIF for raw diffraction data in realising ultimate crystallographic objectivity Location: Terrace 2B Session Chair: John Richard Helliwell Loes Kroon-Batenburg |
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Metadata and checkCIF for raw diffraction data and their role in realising crystallographic science objectivity Utrecht University, Utrecht, The Netherlands External Resource: https://www.xray.cz/iucrv/vidp.asp?id=29
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10:20am - 12:45pm | MS-93: Non-covalent interactions in crystal engineering I Location: Terrace 2B Session Chair: Giuseppe Resnati Session Chair: Petra Bombicz Invited: Deepak Chopra (India), Karah Knope (USA) |
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10:20am - 10:25am
Introduction to session 10:25am - 10:55am
Understanding s- and π-hole centered interactions in crystals from electron density analysis IISER Bhopal, Bhopal, India External Resource: https://www.xray.cz/iucrv/vidp.asp?id=627
10:55am - 11:25am
Harnessing non-covalent interactions towards the isolation of novel actinide structural units Georgetown University, Washington, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=628
11:25am - 11:45am
Stacking interactions of chelate rings of transition metal complexes University of Belgrade - Faculty of Chemistry, Belgrade, Serbia External Resource: https://www.xray.cz/iucrv/vidp.asp?id=629
11:45am - 12:05pm
Activating chalcogen bonding in alkylseleno/alkyltelluro acetylenes: Helical arrangements and crystal engineering strategies 1Univ Rennes, CNRS, ISCR (Institut des Sciences Chimiques de Rennes) UMR 6226, 35042 Rennes; 2Laboratoire CRM2, UMR CNRS 7036, Institut Jean Barriol, Université de Lorraine, BP 70239, 54506 Vandœuvre-lès-Nancy External Resource: https://www.xray.cz/iucrv/vidp.asp?id=630
12:05pm - 12:25pm
Hydrogen bond architecture in a series of allylamine and normal alcohols (C1-C10) cocrystals. 1University of Warsaw, Warsaw, Poland; 2Warsaw University of Technology, Warsaw. Poland External Resource: https://www.xray.cz/iucrv/vidp.asp?id=631
12:25pm - 12:45pm
Expanding the crystal form landscape: emerging computational tools for the discovery of eutectic composites and higher-order cocrystals of organic compounds 1Khalifa University of Science and Technology, Abu Dhabi, United Arab Emirates; 2New York University Abu Dhabi, Abu Dhabi, United Arab Emirates External Resource: https://www.xray.cz/iucrv/vidp.asp?id=632
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2:45pm - 5:10pm | MS-102: Crystallography using large volume presses and diamond anvil cells Location: Terrace 2B Session Chair: Shanti Deemyad Session Chair: Ronald MILETICH Invited: Natalia Dubrovinskaia (Germany), Siddharth Saxena (UK) |
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2:45pm - 2:50pm
Introduction to session 2:50pm - 3:20pm
Evolution of Structural, Magnetic and Electronic Properties with Pressure in TMPX3 van-der-Waals Compounds University of Cambridge, United Kingdom (Gb), United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=97
3:20pm - 3:50pm
Materials synthesis and crystallography at extreme pressure-temperature conditions 1Laboratory of Crystallography, Universität Bayreuth, Bayreuth, Germany; 2Bayerisches Geoinstitut, Universität Bayreuth, Bayreuth, Germany External Resource: https://www.xray.cz/iucrv/vidp.asp?id=98
3:50pm - 4:10pm
Salts of guanine and alkali metals: preparation and structural study at broad range of T, P 1Novosibirsk State University, Novosibirsk, Russian Federation; 2Boreskov Institute of Catalysis SB RAS, Novosibirsk, Russian Federation; 3V.S. Sobolev Institute of Geology and Mineralogy SB RAS, Novosibirsk, Russian Federation External Resource: https://www.xray.cz/iucrv/vidp.asp?id=99
4:10pm - 4:30pm
Phase diagram of carbon dioxide revisited 1LENS - European Laboratory for Non-Linear Spectroscopy, Sesto Fiorentino, Italy; 2ICCOM-CNR, National Research Council of Italy, Sesto Fiorentino, Italy; 3Institut für Mineralogie und Kristallographie, Universität Wien, Wien, Austria; 4Dipartimento di Chimica “Ugo Schiff” dell’Università degli Studi di Firenze, Sesto Fiorentino, Italy; 5European Synchrotron Radiation Facility, ESRF, Grenoble, France External Resource: https://www.xray.cz/iucrv/vidp.asp?id=100
4:30pm - 4:50pm
X-ray study of krypton and xenon under pressure reveals the mechanism of martensitic transformations 1ESRF, Grenoble, France; 2CEA, Arpajon Cedex, France; 3Geodynamics Research Center, Ehime University, Matsuyama, Japan; 49. Laboratoire Magmas et Volcans, Université Clermont Auvergne, Clermont-Ferrand, France External Resource: https://www.xray.cz/iucrv/vidp.asp?id=101
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