Quantum crystallography: past, present, and future

Dylan Jayatilaka

School of Molecular Sciences, The University of Western Australia 35 Stirling Highway, Crawley 6009 , Perth,Western Australia ​

External Resource:

Introduction to session

Qiang Zhu, Rajeev Ahuja

T-USPEX - novel method for crystal structure prediction at finite temperatures

Ivan Kruglov^1,2, Alexey Yanilkin^1,2, Artem Oganov^3,1,2,4

¹Dukhov Research Institute of Automatics (VNIIA), Moscow, Russia; ²Moscow Institute of Physics and Technology, Dolgoprudny, Russia; ³Skolkovo Institute of Science and Technology, Moscow, Russia; ⁴Northwestern Polytechnical University, Xi'an, China

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Functional materials exploration through evolutionary searching and large-scale crystal structure prediction

Graeme M Day, Josh E. Campbell, Chi Y. Cheng

University of Southampton, Southampton, United Kingdom

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Design of metal-organic frameworks: from theoretical structure and reactivity predictions to mechanochemical synthesis and screening

Yizhi Xu¹, James Darby², Joseph Marrett³, Hatem Titi³, Tomislav Friščić³, Andrew Morris⁴, Mihails Arhangelskis¹

¹Faculty of Chemistry, University of Warsaw, Warsaw 02-093, Poland; ²Engineering Department, University of Cambridge, Cambridge CB2 1PZ, U.K; ³Department of Chemistry, McGill University, Montreal H3A 0B8, Canada; ⁴School of Metallurgy and Materials, University of Birmingham, Edgbaston, Birmingham B15 2TT, U.K.

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CCDCGAN: Deep learning prediction of crystal structures

Hongbin Zhang, Teng Long, Yixuan Zhang, Nuno Fortunato, Chen Shen, Oliver Gutfleisch

Institute of Materials Science, Technical University of Darmstadt, 64287 Darmstadt, Germany

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Computational design and prediction of solid-state properties of metal-organic frameworks

Mihails Arhangelskis¹, Yizhi Xu¹, James P. Darby², Novendra Novendra³, Joseph M. Marrett⁴, Athanassios D. Katsenis⁴, Hatem M. Titi⁴, Andrew J. Morris⁵, Tomislav Friščić⁴, Alexandra Navrotsky^3,6

¹University of Warsaw, Warsaw, Poland; ²Department of Engineering, University of Cambridge; ³Peter A. Rock Thermochemistry Laboratory and NEAT ORU, University of California Davis; ⁴Department of chemistry, McGill University; ⁵5School of Metallurgy and Materials, University of Birmingham; ⁶School of Molecular Sciences and Center for Materials of the Universe, Arizona State University

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Computational search for new high-T_C superconductors based on lanthanoid and actinoid hydrides at moderate pressures

Alexander Kvashnin¹, Dmitrii Semenok¹, Ivan Kruglov^2,3, Artem Oganov^1,2,3,4

¹Skolkovo Institute of Science and Technology, Moscow, Russian Federation; ²Dukhov Research Institute of Automatics (VNIIA); ³Moscow Institute of Physics and Technology; ⁴Northwestern Polytechnical University

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Introduction to session

Mariusz Jaskolski, Anthony Linden

Celebrating the 50^th Anniversary of the Protein Data Bank – Prepublication Peer Review and Validation of Small-Molecule Ligands Bound to Proteins and Nucleic Acids

Stephen K. Burley

RCSB Protein Data Bank, Institute for Quantitative Biomedicine, Department of Chemistry and Chemical Biology, Rutgers Cancer Institute of New Jersey, Rutgers, The State University of New Jersey, Piscataway, NJ 08854, United States

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Data scrutiny in IUCr journals

Brian McMahon

International Union of Crystallography, Chester, United Kingdom

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Crystallographic review - perspectives from a chemical structural database

Suzanna Ward, Natalie Johnson, Matthew Lightfoot

The Cambridge Crystallographic Data Centre (CCDC), Cambridge, United Kingdom

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How not to publish structural results

Alexander Wlodawer

National Cancer Institute, Frederick, MD, United States of America

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Evolution of macromolecular model quality

Dariusz Brzezinski^1,2,3, Zbigniew Dauter⁴, Wladek Minor³, Mariusz Jaskolski^1,5

¹Center for Biocrystallographic Research, Institute of Bioorganic Chemistry, Polish Academy of Sciences, Poznan, Poland; ²Institute of Computing Science, Poznan University of Technology, Poznan, Poland; ³Department of Molecular Physiology and Biological Physics, University of Virginia, Charlottesville, USA; ⁴Synchrotron Radiation Research Section, Macromolecular Crystallography Laboratory, National Cancer Institute, Argonne National Laboratory, Argonne, USA; ⁵Department of Crystallography, Faculty of Chemistry, A. Mickiewicz University, Poznan, Poland

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Diffraction from aperiodic crystals: the state of the art

Uwe Grimm

The Open University, Milton Keynes, United Kingdom

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Electron crystallography of molecular crystal

Lukáš Palatinus

Institute of Physics of the CAS, Prague, Czech Republic

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Introduction to session

Ute Kolb, Petr Brázda

Combining MicroED and GIWAXS for determining structure and orientation of organic semiconductor thin films

Brent Nannenga

Arizona State University, Tempe, United States of America

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Strategies for structure solution of small-molecule organics by 3D ED using a small beam

Enrico Mugnaioli¹, Iryna Andrusenko¹, Mauro Gemmi¹, Partha P. Das², Athanassios Galanis², Stavros Nicolopoulos²

¹Center for Nanotechnology Innovation@NEST, Istituto Italiano di Tecnologia, Piazza San Silvestro 12, Pisa 56127, Italy; ²NanoMEGAS SPRL, Rue Émile Claus 49 bte 9, Brussels1050, Belgium

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The crystal structure determination of an organic dye with triclinic symmetry by electron diffraction

Sergi Plana Ruiz^1,2, Yasar Krysiak³, Joaquim Portillo Serra⁴, Edith Alig⁵, Sònia Estradé¹, Francesca Peiró¹, Ute Kolb^2,6

¹LENS, MIND/IN2UB, University of Barcelona, Barcelona, Catalonia; ²Institut für Angewandte Geowissenschaften, Technische Universität Darmstadt, Darmstadt, Germany; ³Fyzikální Ústav, Akademie vĕd České Republiky, Prague, Czech Republic; ⁴NanoMegas SPRL, Brussels, Belgium; ⁵Institut für Anorganische Chemie und Analytische Chemie, Goethe-Universität Frankfurt, Frankfurt, Germany; ⁶Institut für Anorganische Chemie und Analytische Chemie, Johannes Gutenberg-Universität Mainz, Mainz, Germany

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Refinement with multipolar scattering factors

Barbara Gruza, Michał Leszek Chodkiewicz, Paulina Maria Dominiak

Biological and Chemical Research Centre, Department of Chemistry, University of Warsaw, Poland

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Improving data quality for 3D electron diffraction (3DED) by Gatan Image Filter

Taimin Yang, Hongyi Xu, Xiaodong Zou

Stockholm University, Stockholm, Sweden

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3D electron diffraction: a dedicated device for structural elucidation of nanocrystalline particles

Gustavo Santiso-Quinones, Eric Hovestreydt, Arianna E. Lanza, Gunther Steinfeld

ELDICO Scientific AG, 5234 Villigen, Switzerland

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Introduction to session

Jim Ciston, Mauro Gemmi

Quantitative electron ptychography for simultaneous light and heavy elements atom counting

Emanuela Liberti^1,2, Arthur N. Moya¹, Kevin P. Treder¹, Colum M. O'Leary¹, Judy S. Kim^1,2,3, Peter D. Nellist¹, Angus I. Kirkland^1,2,3

¹University of Oxford, Oxford, United Kingdom; ²electron Physical Science Imaging Centre (ePSIC), Diamond Light Source, Didcot, UK; ³The Rosalind Franklin Institute, Harwell Campus, Didcot, UK

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Structure Determination of Biomolecules by 3D Electron Diffraction

Hongyi Xu, Xiaodong Zou

Department of Materials and Environmental Chemistry, Stockholm University, Stockholm, Sweden

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QCBED-DFT: Experimentally constrained density functional theory

Ding Peng¹, Philip Nakashima²

¹Department of Physics, Norwegian University of Science and Technology (NTNU), Trondheim 7491, Norway; ²Department of Materials Science and Engineering, Monash University, Victoria 3800, Australia

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Precise lattice parameters through distortions refinement using circular harmonics

Petr Brazda, Lukas Palatinus

Institute of Physics of the Czech Academy of Sciences, Prague 8, Czech Republic

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Direct Imaging of Metal Additives on Au Nanocube Surface Using 4D-STEM

Weilun Li¹, Bryan D. Esser¹, Anchal Yadav², Alison M. Funston^2,3, S. D. Findlay⁴, Changlin Zheng^5,6, Joanne Etheridge^1,5

¹Department of Materials Science and Engineering; ²School of Chemistry; ³ARC Centre of Excellent in Exciton Science; ⁴School of Physics and Astronomy; ⁵Monash Centre for Electron Microscopy, Monash University, Victoria 3800, Australia; ⁶State Key Laboratory of Surface Physics and Department of Department of Physics, Fudan University, Shanghai 200433, China

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Real space frequency analysis of electron diffuse scattering for lattice distortion determination in real crystals

Jian-Min Zuo, Yu-Tsun Shao, Haw-Wen Hsiao, Renliang Yuan, Qun Yang, Yang Hu

University of Illinois at Urbana-Champaign, Urbana, United States of America

The development of automated diffraction tomography

Ute Kolb

Johannes Gutenberg-University Mainz, Mainz, Germany

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Electron crystallography - from slow 2D of simple structures to rapid crystal structure determinations in 3D of very complex structures

Sven Hovmöller

Stockholm university, Stockholm, Sweden

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Structural flexibility and disorder in functional materials

Andrew Goodwin

University of Oxford, Oxford, United Kingdom

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Introduction to session

Pierre Bordet, Emil Bozin

Pair Distribution Function Analysis in Materials Science

Bo Brummerstedt Iversen

Aarhus University, Aarhus, Denmark

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Recent developments in measuring and analysing large 3D volumes of scattering data to investigate the role of complex disorder on crystalline materials properties

Stephan Rosenkranz, Matthew J. Krogstad, Raymond Osborn

Materials Science Division, Argonne National Laboratory, Lemont, Illinois 60439, United States of America

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Extracting interface correlations from the pair distribution function of composite materials

Harry S Geddes¹, Henry D Hutchinson¹, Alex R Ha¹, Nicholas P Funnell², Andrew L Goodwin¹

¹Department of Chemistry, University of Oxford, South Parks Road, Oxford, OX1 3QR, U.K; ²ISIS Facility, Rutherford Appleton Laboratory, Harwell Science and Innovation Cam- pus, Didcot, OX11 0QX, U.K.

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Total scattering at grazing incidence to study real thin film systems at variable temperature

Ann-Christin Dippel¹, Olof Gutowski¹, Martin Roelsgaard², Bo B. Iversen², Marina Sturm¹, Martin v. Zimmermann¹

¹Deutsches Elektronen-Synchrotron DESY, Hamburg, Germany; ²Department of Chemistry, Aarhus University, 8000 Aarhus C, Denmark

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Magnetic pair distribution function analysis of antiferromagnetic semiconductor MnTe

Parke Kip Hamilton, Raju Baral, Jacob Christensen, Benjamin Frandsen

Brigham Young University, Provo, United States of America

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The local structure fingerprint of dual orbital degeneracy lifting in a strongly correlated electron system

Robert J. Koch¹, Ryan Sinclair², Marshall T. McDonnell³, R. Yu¹, Milinda Abeykoon⁴, Matt Tucker³, Alexei M. Tsvelik¹, Simon J. L. Billinge^1,5, Haidong D. Zhou², Weiguo Yin¹, Emil S. Bozin¹

¹Condensed Matter Physics and Materials Science Division, Brookhaven National Laboratory, Upton, NY 11973, USA; ²Department of Physics and Astronomy, University of Tennessee, Knoxville, TN 37996, USA; ³Neutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA; ⁴Photon Sciences Division, Brookhaven National Laboratory, Upton, NY 11973, USA; ⁵Department of Applied Physics and Applied Mathematics, Columbia University, New York, NY 10027, USA

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MicroED: conception, practice and future opportunities

Tamir Gonen

HHMI/UCLA, Los Angeles, United States of America

External Resource:

Introduction to session

Joke Hadermann, Junliang Sun

X-ray powder diffraction and electron single crystal diffraction – two techniques for structure analysis of nanocrystals

Tatiana Gorelik

University of Ulm, Ulm, Germany

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In the age of electrons, do we still need powder diffraction?

Stef Smeets

Netherlands eScience Center, Amsterdam, The Netherlands

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The long-time elusive structure of magadiite,solved by 3D electron diffraction and model building

Yaşar Krysiak¹, Marcel Maslyk², Bruna N. N. Silva³, Sergi Plana-Ruiz^4,5, Hipassia M. Moura⁶, Erica O. Munsignatti⁶, Viviane S. Vaiss³, Ute Kolb^2,4, Wolfgang Tremel², Lukáš Palatinus⁷, Alexandre A. Leitão³, Bernd Marler⁸, Heloise O. Pastore⁶

¹Inst. Inorg. Chem., University of Hannover, Germany; ²Inst. Inorg. Chem. Analytical Chem., University of Mainz, Germany; ³Group of Phys. Chem. of Solids and Interfaces, Depart. Chem., Universidade Federal de Juiz de Fora, Brazil; ⁴Depart. Mater. Geoscience, University of Darmstadt, Germany; ⁵LENS, MIND/IN2UB, Engineer Depart.: Electronics section, Universitat de Barcelona, Catalonia; ⁶Micro Mesoporous Molecular Sieves Group, Inst. Chem., University of Campinas, Brazil; ⁷Departm. Structure Analysis, Inst. Physics, Czech Academy of Sciences, Czech Republic; ⁸Inst. Geol, Mineral., Geophysics, Ruhr University Bochum, Germany

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Structure and stability of δ-indomethacin

Iryna Andrusenko¹, Enrico Mugnaioli¹, Mauro Gemmi¹, Arianna E. Lanza^1,2, Victoria Hamilton³, Charlie L. Hall³, Jason Potticary³, Simon R. Hall³, Anna M. Piras⁴, Ylenia Zambito⁴

¹Istituto Italiano di Tecnologia, Pisa, Italy; ²ELDICO Scientific AG, Villigen, Switzerland; ³School of Chemistry, University of Bristol, Bristol, UK; ⁴Department of Pharmacy, University of Pisa, Pisa, Italy

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A Novel High-Pressure Tin Oxynitride Sn₂N₂O

Philipp Gollé-Leidreiter^1,4, Leonore Wiehl¹, Shrikant Bhat², Ute Kolb^1,3, Ralf Riedel¹

¹FB Material- und Geowissenschaften, Technische Universität Darmstadt, Alarich Weiss Straße 2, 64287 Darmstadt, Germany; ²Photon Science, DESY, Notkestrasse 85, 22607 Hamburg, Germany; ³Institut für Physikalische Chemie, Johannes Gutenberg-Universität Mainz, Saarstraße 10-14, 55128 Mainz, Germany; ⁴Fraunhofer ISC Neunerplatz 2, 97082 Würzburg, Germany

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Low Dose Electron Diffraction Tomography (LD-EDT) in TEM: Application on an hydrated Al arsenate mineral

Emre Yörük, Holger Klein, Stephanie Kodjikian

Université Grenoble Alpes and CNRS, Institut Néel, 38000, Grenoble, France

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Introduction to session

Carlo Meneghini, Siegbert Schmid

Structure and charge monitoring of battery materials: long range vs. short range in Prussian Blue Analogous

Marco Giorgetti

University of Bologna, Bologna, Italy

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Diffraction and Spectroscopy: characterising thin ferromagnetic films from the local scale to the long-range... and beyond

Ilaria Carlomagno¹, Jakub Drnec², Roberto Felici³, Carlo Meneghini⁴

¹Elettra Sincrotrone Trieste, Basovizza, Italy; ²ESRF, Grenoble, France; ³SPIN-CNR, Rome, Italy; ⁴Università Roma Tre, Rome, Italy

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Combining X-ray absorption and diffraction to relate structure to the activity in catalysts for CO₂ valorization reactions

Paula Macarena Abdala, Muhammad Awais Naeem, Sung Min Kim, Athanasia Tsoukalou, Alexey Fedorov, Christoph Müller

ETH Zurich, Zürich, Switzerland

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XAS, IR and XRD analysis for structural characterization of rare minerals: new occurrence of demantoid garnets in Sa Spinarbedda mine (Sardinia – Italy)

Nicola Precisvalle¹, Annalisa Martucci¹, Costanza Bonadiman¹, Simone Pollastri², Chiaramaria Stani²

¹Physics and Earth Sciences Department, University of Ferrara, Via Saragat 1, 44122 Ferrara, Italy; ²Elettra - Sincrotrone Trieste, ss 14, km 163.5, 34149 Basovizza, Trieste Italy.

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Effects of Li⁺ addition rate during the synthesis of LiFePO₄: Combining X-ray diffraction and spectroscopy techniques to determine average and local structure.

Michelle Thiebaut^1,2,3, Caren Billing¹, David Billing^1,3, Deena Naidoo^1,3

¹University of the Witwatersrand, Johannesburg, South Africa; ²National Research Foundation, South Africa; ³Centre of Excellence in Strong Materials (DSI - NRF CoE-SM)

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Ultraviolet-assisted synthesis and structural characterization of the Pd nanoparticles on the CeO₂ substrate

Mikhail Viktorovich Kirichkov, Vladimir Andreevich Polyakov, Andrei Alexandrovich Tereshchenko, Victor Vasilievich Shapovalov, Alexander Alexandrovich Guda, Alexander Vladimirovich Soldatov

The Smart Materials Research Institute, Rostov-on-Don, Russian Federation

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X-ray absorption spectroscopy and materials science: recent advances

Federico Boscherini

University of Bologna, Bologna, Italy

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Clathrate Superhydrides Under High Pressure Conditions: A Class of Extraordinarily Hot Conventional Superconductors

Yanming Ma

College of Physics, Jilin Univ., Changchun 130012, China

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Introduction to session

Consiglia Tedesco, Toru Asahi

Functional crystalline materials based on macrocyclic nanochannels

Sota SATO

Department of Applied Chemistry, The University of Tokyo, Tokyo, Japan

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Variable adaptability of coordination polymers of cadmuim(II) to external mechanical stimuli

Marijana Đaković, Mateja Pisačić

University of Zagreb, Zagreb, Croatia

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In situ photoswitching of spirorhodamines isomers in solid-state

Julieta Alday¹, Mateo Michel Torino¹, Lucia Alvarez², Maria Gabriela Lagorio¹, Cristian Huck Iriart³, Sebastian Suarez¹

¹Buenos Aires University, CABA, Argentina.; ²IIB, UNSAM, 25 de mayo y Francia, San Martín Buenos Aires, Argentina.; ³ECyT, UNSAM, 25 de mayo 1169, San Martín, Buenos Aires, Argentina.

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The pancake-bonding of semiquinone radicals under variable pressure and temperature conditions.

Nikita Bogdanov^1,2, Valentina Milašinović³, Boris Zakharov^1,2, Elena Boldyreva^1,2, Krešimir Molčanov³

¹Boreskov Institute of Catalysis SB RAS, Novosibirsk, Russia; ²Novosibirsk State University, Novosibirsk, Russia; ³Ruđer Bošković Institute, Zagreb, Croatia

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Structural chemistry of azulenes

Nick Gerasimchuk¹, Mikhail Barybin²

¹Missouri State University, Springfield, Missouri, United States of America; ²University of Kansas, Lawrence, Kansas, United States of America

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Understanding the role of non-covalent interactions in the acridine with different acids of salt molecules

SUGANYA SURESH¹, SARAVANAN KANDASAMY², KUMARADHAS POOMANI¹

¹Laboratory of Biocrystallography and Computational Molecular Biology Department of Physics, Periyar University, Salem-636 011, India; ²Faculty of Chemistry, University of Warsaw, Warsaw-02093, Poland

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Introduction to session

Simon Billinge, Angela Trapananti

What does the structure of liquid mean?

Takeshi Egami^1,2

¹University of Tennessee, Knoxville, United States of America; ²Oak Ridge National Laboratory, Oak Ridge, United States of America

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Hyper-ordered structures and glass-forming abilities of Pd-based metallic glasses

Shinya Hosokawa

Kumamoto University, Kumamoto, Japan

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Introducing the Pair-Angle Distribution Function: many-atom statistics of crystals and disordered materials

Andrew V. Martin¹, Jack Binns¹, Patrick Adams¹, Tamar L. Greaves¹, Connie Darmanin²

¹RMIT University, Melbourne, Australia; ²ARC Centre of Excellence for Advanced Molecular Imaging, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, Victoria, 3086, Australia.

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Group 13 precursor structures and their effect on oxide nanocrystal formation

Ida Gjerlevsen Nielsen, Sanna Sommer, Bo Brummerstedt Iversen

Center for Materials Crystallography, Department of Chemistry and iNano, Aarhus University, Aarhus C, Denmark

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Extracting local symmetry of liquid metals from extended x-ray absorption fine structure using deep neural network

Fabio Iesari¹, Hiroyuki Setoyama², Toshihiro Okajima¹

¹Aichi Synchrotron Radiation Center (Seto, Aichi, Japan); ²Kyushu Synchrotron Light Research Center (Tosu, Saga, Japan)

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Disorder and dynamics of free and caged molecules in crystals

Guanqun Cai¹, Franz Demmel², Richard Dixey¹, Bernet E. Meijer¹, Shurong Yuan¹, Helen C. Walker², Anthony E. Phillips¹

¹Queen Mary University of London, London, United Kingdom; ²ISIS Neutron and Muon Source, Rutherford Appleton Laboratory, Harwell Oxford OX11 0QX, United Kingdom

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Natural polyoxometalates: diversity, complexity and divergence from synthetic chemistry

Sergey V. Krivovichev^1,2

¹Kola Science Centre, Russian Academy of Sciences, Apatity, Russian Federation; ²St. Petersburg State University, University Emb. 7/9, 199034 St. Petersburg, Russia

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In situ and ex situ studies of battery materials with magnetic resonance and diffraction methods

Clare Grey

University of Cambridge, Cambridge, United Kingdom

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Fourth-generation Synchrotron radiation and XFEL facilities: new era in crystallography and material science.

Alexander Eugenievich Blagov

National Research Center «Kurchatov Institute», Moscow, Russian Federation

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Introduction to session

Makina Yabashi, Sofia Diaz-Moreno

The ultra-low emittance synchrotron storage rings: a new paradigm for matter characterization.

Jean Susini

Synchrotron SOLEIL, Gif sur Yvette, France

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Ultrafast structural changes in matter induced by intense X-ray free-electron laser pulses

Ichiro Inoue¹, Yuichi Inubushi^1,2, Taito Osaka¹, Toru Hara¹, Eiji Nishibori³, Makina Yabashi¹

¹RIKEN SPring-8 Center, 1-1-1 Kouto, Sayo, Hyogo 679-5148, Japan.; ²Japan Synchrotron Radiation Research Institute, Kouto 1-1-1, Sayo, Hyogo 679-5198, Japan; ³University of Tsukuba, Tsukuba, Ibaraki 305-8571, Japan.

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Pink-beam serial femtosecond crystallography for accurate structure factor determination at an X-ray free electron laser

Karol Nass¹, Camila Bacellar¹, Claudio Cirelli¹, Florian Dworkowski¹, Yaroslav Gevorkov², Daniel James¹, Philip J. M. Johnson¹, Demet Kekilli¹, Gregor Knopp¹, Isabelle Martiel¹, Dmitry Ozerov¹, Alexandra Tolstikova², Laura Vera¹, Tobias Weinert¹, Oleksandr Yefanov², Joerg Standfuss¹, Sven Reiche¹, Christopher J. Milne¹

¹Paul Scherrer Institut, Forschungstrasse 111, Villigen, 5232, Switzerland; ²Center for Free-Electron Laser Science, Notkestrasse 85, Hamburg, 22607, Germany

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Towards a structural biology at organism relevant temperature and chemical conditions

John Richard Helliwell

University of Manchester, Manchester, United Kingdom

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Ultrafast dynamical diffraction wavefronts in strained Si imagined with Tele-ptychography

Angel Rodriguez-Fernandez¹, Ana Diaz², Anand H. S. Iyer³, Mariana Verezhak², Klaus Wakonig², Magnus H. Colliander³, Dina Carbone⁴

¹Eu XFEL GmbH, Schenefeld, Germany; ²Paul Scherrer Institute, Villigen PSI, Switzerland; ³Chalmers University of Technology, Gothenburg, Sweden; ⁴MAX IV, Lund University, Lund, Sweden

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Advances with EIGER2 (CdTe) detectors for Synchrotron and Laboratory

Stefan Brandstetter, Max Burian

Dectris Ltd, Baden-Daettwil , Switzerland

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Introduction to session

Lars Ehm, Jon Henry Eggert, Vitali Prakapenka, Przemyslaw Dera

Experimental measures of the orientation dependence of the B1-B2 transformation in shock-compressed MgO

June Ki Wicks

Johns Hopkins University, Baltimore, United States of America

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Simultaneous imaging and diffraction of phase transitions at intermediate compression rates

Rachel J. Husband¹, Zsolt Jenei², Johannes Hagemann¹, Earl F. O'Bannon², William J. Evans², Andreas Schropp¹, Konstantin Glazyrin¹, Hanns-Peter Liermann¹

¹DESY, Notkestrasse 85, 2260 Hamburg, Germany; ²Lawrence Livermore National Laboratory, 7000 East Avenue, L-041 Livermore, CA 94550, USA

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Phase Changes in Dynamically Compressed Water

Michael G Stevenson¹, Lisa M V Zinta¹, Benjamin Heuser¹, Zhiyu He¹, Divyanshu Rajan¹, Mandy Bethkenhagen¹, Martin French¹, Armin Bergermann¹, Ronald Redmer¹, Thomas Cowan², Oliver Humphries², Julian Lütgert², Katja Voigt², Anja Schuster², Tommaso Vinci³, Emma E McBride⁴, Nicholas J Hartley⁴, Arianna Gleason- Holbrook⁴, Siegfried Glenzer⁴, Silvia Pandolfi⁴, Adrien Descamps⁴, Benjamin Ofori-Okai⁴, Christopher Schoenwaelder⁴, Griffin Glenn⁴, Luke B Fletcher⁴, Bob Nagler⁴, Hae Ja Lee⁴, Eric Galtier⁴, Dimitri Khaghani⁴, Jean-Alexis Hernandez⁵, Alessandra Ravasio³, Dominik Kraus^1,2

¹University of Rostock, Rostock, Germany; ²Helmholtz-Zentrum Dresden-Rossendorf, Dresden, Germany; ³Laboratoire LULI, Ecole Polytechnique, Palaiseau, France; ⁴SLAC National Accelerator Laboratory, Menlo Park, USA; ⁵University of Oslo, Oslo, Norwa

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Investigations of the high-pressure, high-temperature behaviour of Au using laser-driven dynamic compression

Amy Coleman, Raymond Smith, Tom Lockard, Damian Swift, James McNaney

Lawrence Livermore National Laboratory, Livermore, United States of America

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Mineral inclusions as models to characterize deviatoric stress in single crystals

Marta Morana¹, Ross J. Angel², Alice Girani¹, Mara Murri¹, Frederico Alabarse³, Matteo Alvaro¹

¹University of Pavia, Pavia, Italy; ²Istituto di Geoscienze e Georisorse, Padua, Italy; ³Elettra Sincrotrone, Basovizza, Trieste, Italy

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High-pressure low-temperature phase transitions and structural development in quasi-two-dimensional transition metal oxychlorides

Achim Mathias Schaller¹, Maxim Bykov^2,3, Elena Bykova², Konstantin Glazyrin⁴, Sander van Smaalen¹

¹University of Bayreuth, Laboratory of Crystallography, Bayreuth, Germany; ²Carnegie Institution of Washington, Geophysical Laboratory, Washington DC, USA; ³Howard University, Washington DC, USA; ⁴Photon Sciences, Deutsches Elektronen-Synchrotron (DESY), Hamburg, Germany

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Using crystallography tools to improve vaccine formulations

Márcia Carvalho de Abreu Fantini¹, Cristiano Luis Pinto Oliveira¹, José Luiz de Souza Lopes¹, Tereza da Silva Martins², Milena Apetito Akamatsu³, Aryene Góes Trezena⁴, Milene Tino de Franco⁴, Viviane Fongaro Botosso⁵, Osvaldo Augusto Brazil Esteves Sant´Anna⁶, Nikolay Kardjilov⁷, Martin Kjaerulf Rasmussen⁸, Heloísa Nunes Bordallo⁸

¹University of São Paulo, Physics Institute, São Paulo - SP, Brazil; ²Chemistry Department, Federal University of São Paulo, Diadema - SP, Brazil; ³Innovation Division, Butantan Institute, São Paulo - SP, Brazil; ⁴Imunogenetic Laboratory, Butantan Institute, São Paulo - SP, Brazil; ⁵Virology Laboratory, Butantan Institute, São Paulo - SP, Brazil; ⁶Imunochemistry Laboratory, Butantan Institute, São Paulo - SP, Brazil; ⁷HZB für Materialien und Energie, Helmholtz-Zentrum Berlin, Berlin, Germany; ⁸Niels Bohr Institute, University of Copenhagen,

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The science of symmetry breaking: A personal journey

Harold T Stokes

Brigham Young University, Provo, United States of America

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Introduction to session

Angela Altomare

Wrong organic crystal structures solved and refined from powder data

Martin U. Schmidt, Viktoria Gramakov, Carina Schlesinger, Lukas Tapmeyer

Goethe Universitaet, Frankfurt am Main, Germany

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Probing Chemical Short-range Order and other Nanoscale Motifs in the Solid State

Katharine Page

University of Tennessee, Knoxville, United States of America

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Multiscale structural decoding of fibrous materials by SAXS and WAXD

Antonia Neels, Alex Dommann, Anjani Maurya

Empa, Materials Science and Technology

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Polarized resonant soft X-ray scattering measurements in polymer-grafted nanoparticles

Dean DeLongchamp

National Institute of Standards and Technology, Gaithersburg, United States of America

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Understanding Order and Correlation in Liquid Crystals by Fluctuation Scattering

Jack Binns¹, Patick Adams¹, Cameron M. Kewish^2,3, Tamar L. Greaves¹, Andrew V. Martin¹

¹RMIT University, Melbourne, Australia; ²Australian Nuclear Science and Technology Organisation, Australian Synchrotron, Australia; ³La Trobe Institute for Molecular Science, La Trobe University, Australia

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Using the Pair Angle Distribution Function for Analysing Protein Structure

Patrick Leslie Raphael Adams, Jack Binns, Tamar L. Greaves, Andrew V Martin

RMIT Univeristy, Melbourne, Australia

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Introduction to session

Jonathan Paul Wright, Sinex Larsen

Macroscopic X-ray powder diffraction imaging for the study of oil paintings

Frederik Vanmeert^1,2, Steven de Meyer¹, Arthur Gestels¹, Steven Saverwyns², Koen Janssens¹

¹AXES Research Group, NANOLab Centre of Excellence, University of Antwerp, Antwerp, Belgium; ²Laboratory Department, Royal Institute for Cultural Heritage, Brussels, Belgium

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A multiscale, multimodal approach to studying static recrystallization in Mg-3Zn-0.1Ca

Sangwon Lee¹, Tracy Berman¹, Can Yildirim², Kate Shanks³, Carsten Detlefs², John Allison¹, Ashley Bucsek¹

¹University of Michigan, Ann Arbor, United States of America; ²European Synchrotron Radiation Facility, Grenoble, France; ³Cornell High Energy Synchrotron Source, Ithaca, United States of America

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Trindex - 3D Grain Orientation Mapping with Neutron Imaging

Patrick Kin Man Tung¹, Stavros Samothrakitis², Camilla Larsen², Nancy Elewa³, Ryoji Kiyanagi⁴, Takenao Shinohara⁴, Luise Theil Kuhn⁵, Robin Woracek⁶, Markus Strobl², Petr Sittner³, Soren Schmidt⁶

¹University of New South Wales, Australia; ²Paul-Scherrer Institute, Switzerland; ³Institute of Physics, Czech Republic; ⁴Japan Proton Accelerator Research Complex (J-PARC), Japan; ⁵Technical University of Denmark, Denmark; ⁶European Spallation Source ERIC, Sweden

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New advanced tools for processing and analysis of 2D X-ray diffraction data: XRD2DScan software 7.0

Alejandro Rodriguez-Navarro¹, Natalia Dadivanyan², Anil Kumar², Milen Gateshki²

¹Universidad de Granada, 18002 Granada, Spain; ²Malvern Panalytical B.V., 7602 EA Almelo, The Netherlands

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Visualizing the Dynamics of Subsurface Defects with Time-Resolved Dark-Field X-ray Microscopy

Leora Dresselhaus-Marais

Lawrence Livermore National Lab, Livermore, United States of America

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Diffraction imaging and tomography investigations on the hydration of gypsum plaster

Michela La Bella^1,2, Rogier Besselink², Alexander E. S. Van Driessche², Jonathan P. Wright¹, Carlotta Giacobbe¹, Alejandro Fernandez-Martinez²

¹European Synchrotron Radiation Facility, 71 Avenue Des Martyrs, 38040 Grenoble , France; ²Institut de science de la Terre, Université Grenoble Alpes, 1381 Rue de la Piscine, 38610 Gières, France

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