Quantum crystallography: past, present, and future

Dylan Jayatilaka

Introduction to session

Qiang Zhu, Rajeev Ahuja

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

Ivan Kruglov, Alexey Yanilkin, Artem Oganov

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

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

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

Yizhi Xu, James Darby, Joseph Marrett, Hatem Titi, Tomislav Friščić, Andrew Morris, Mihails Arhangelskis

CCDCGAN: Deep learning prediction of crystal structures

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

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

Mihails Arhangelskis, Yizhi Xu, James P. Darby, Novendra Novendra, Joseph M. Marrett, Athanassios D. Katsenis, Hatem M. Titi, Andrew J. Morris, Tomislav Friščić, Alexandra Navrotsky

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

Alexander Kvashnin, Dmitrii Semenok, Ivan Kruglov, Artem Oganov

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

Data scrutiny in IUCr journals

Brian McMahon

Crystallographic review - perspectives from a chemical structural database

Suzanna Ward, Natalie Johnson, Matthew Lightfoot

How not to publish structural results

Alexander Wlodawer

Evolution of macromolecular model quality

Dariusz Brzezinski, Zbigniew Dauter, Wladek Minor, Mariusz Jaskolski

Diffraction from aperiodic crystals: the state of the art

Uwe Grimm

Electron crystallography of molecular crystal

Lukáš Palatinus

Introduction to session

Ute Kolb, Petr Brázda

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

Brent Nannenga

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

Enrico Mugnaioli, Iryna Andrusenko, Mauro Gemmi, Partha P. Das, Athanassios Galanis, Stavros Nicolopoulos

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

Sergi Plana Ruiz, Yasar Krysiak, Joaquim Portillo Serra, Edith Alig, Sònia Estradé, Francesca Peiró, Ute Kolb

Refinement with multipolar scattering factors

Barbara Gruza, Michał Leszek Chodkiewicz, Paulina Maria Dominiak

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

Taimin Yang, Hongyi Xu, Xiaodong Zou

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

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

Introduction to session

Jim Ciston, Mauro Gemmi

Quantitative electron ptychography for simultaneous light and heavy elements atom counting

Emanuela Liberti, Arthur N. Moya, Kevin P. Treder, Colum M. O'Leary, Judy S. Kim, Peter D. Nellist, Angus I. Kirkland

Structure Determination of Biomolecules by 3D Electron Diffraction

Hongyi Xu, Xiaodong Zou

QCBED-DFT: Experimentally constrained density functional theory

Ding Peng, Philip Nakashima

Precise lattice parameters through distortions refinement using circular harmonics

Petr Brazda, Lukas Palatinus

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

Weilun Li, Bryan D. Esser, Anchal Yadav, Alison M. Funston, S. D. Findlay, Changlin Zheng, Joanne Etheridge

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

The development of automated diffraction tomography

Ute Kolb

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

Sven Hovmöller

Structural flexibility and disorder in functional materials

Andrew Goodwin

Introduction to session

Pierre Bordet, Emil Bozin

Pair Distribution Function Analysis in Materials Science

Bo Brummerstedt Iversen

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

Extracting interface correlations from the pair distribution function of composite materials

Harry S Geddes, Henry D Hutchinson, Alex R Ha, Nicholas P Funnell, Andrew L Goodwin

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

Ann-Christin Dippel, Olof Gutowski, Martin Roelsgaard, Bo B. Iversen, Marina Sturm, Martin v. Zimmermann

Magnetic pair distribution function analysis of antiferromagnetic semiconductor MnTe

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

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

Robert J. Koch, Ryan Sinclair, Marshall T. McDonnell, R. Yu, Milinda Abeykoon, Matt Tucker, Alexei M. Tsvelik, Simon J. L. Billinge, Haidong D. Zhou, Weiguo Yin, Emil S. Bozin

MicroED: conception, practice and future opportunities

Tamir Gonen

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

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

Stef Smeets

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

Yaşar Krysiak, Marcel Maslyk, Bruna N. N. Silva, Sergi Plana-Ruiz, Hipassia M. Moura, Erica O. Munsignatti, Viviane S. Vaiss, Ute Kolb, Wolfgang Tremel, Lukáš Palatinus, Alexandre A. Leitão, Bernd Marler, Heloise O. Pastore

Structure and stability of δ-indomethacin

Iryna Andrusenko, Enrico Mugnaioli, Mauro Gemmi, Arianna E. Lanza, Victoria Hamilton, Charlie L. Hall, Jason Potticary, Simon R. Hall, Anna M. Piras, Ylenia Zambito

A Novel High-Pressure Tin Oxynitride Sn₂N₂O

Philipp Gollé-Leidreiter, Leonore Wiehl, Shrikant Bhat, Ute Kolb, Ralf Riedel

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

Emre Yörük, Holger Klein, Stephanie Kodjikian

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

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

Ilaria Carlomagno, Jakub Drnec, Roberto Felici, Carlo Meneghini

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

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

Nicola Precisvalle, Annalisa Martucci, Costanza Bonadiman, Simone Pollastri, Chiaramaria Stani

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, Caren Billing, David Billing, Deena Naidoo

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

X-ray absorption spectroscopy and materials science: recent advances

Federico Boscherini

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

Yanming Ma

Introduction to session

Consiglia Tedesco, Toru Asahi

Functional crystalline materials based on macrocyclic nanochannels

Sota SATO

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

Marijana Đaković, Mateja Pisačić

In situ photoswitching of spirorhodamines isomers in solid-state

Julieta Alday, Mateo Michel Torino, Lucia Alvarez, Maria Gabriela Lagorio, Cristian Huck Iriart, Sebastian Suarez

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

Nikita Bogdanov, Valentina Milašinović, Boris Zakharov, Elena Boldyreva, Krešimir Molčanov

Structural chemistry of azulenes

Nick Gerasimchuk, Mikhail Barybin

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

SUGANYA SURESH, SARAVANAN KANDASAMY, KUMARADHAS POOMANI

Introduction to session

Simon Billinge, Angela Trapananti

What does the structure of liquid mean?

Takeshi Egami

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

Shinya Hosokawa

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

Andrew V. Martin, Jack Binns, Patrick Adams, Tamar L. Greaves, Connie Darmanin

Group 13 precursor structures and their effect on oxide nanocrystal formation

Ida Gjerlevsen Nielsen, Sanna Sommer, Bo Brummerstedt Iversen

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

Fabio Iesari, Hiroyuki Setoyama, Toshihiro Okajima

Disorder and dynamics of free and caged molecules in crystals

Guanqun Cai, Franz Demmel, Richard Dixey, Bernet E. Meijer, Shurong Yuan, Helen C. Walker, Anthony E. Phillips

Natural polyoxometalates: diversity, complexity and divergence from synthetic chemistry

Sergey V. Krivovichev

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

Alexander Eugenievich Blagov

Introduction to session

Makina Yabashi, Sofia Diaz-Moreno

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

Jean Susini

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

Ichiro Inoue, Yuichi Inubushi, Taito Osaka, Toru Hara, Eiji Nishibori, Makina Yabashi

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

Karol Nass, Camila Bacellar, Claudio Cirelli, Florian Dworkowski, Yaroslav Gevorkov, Daniel James, Philip J. M. Johnson, Demet Kekilli, Gregor Knopp, Isabelle Martiel, Dmitry Ozerov, Alexandra Tolstikova, Laura Vera, Tobias Weinert, Oleksandr Yefanov, Joerg Standfuss, Sven Reiche, Christopher J. Milne

Towards a structural biology at organism relevant temperature and chemical conditions

John Richard Helliwell

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

Angel Rodriguez-Fernandez, Ana Diaz, Anand H. S. Iyer, Mariana Verezhak, Klaus Wakonig, Magnus H. Colliander, Dina Carbone

Advances with EIGER2 (CdTe) detectors for Synchrotron and Laboratory

Stefan Brandstetter, Max Burian

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

Simultaneous imaging and diffraction of phase transitions at intermediate compression rates

Rachel J. Husband, Zsolt Jenei, Johannes Hagemann, Earl F. O'Bannon, William J. Evans, Andreas Schropp, Konstantin Glazyrin, Hanns-Peter Liermann

Phase Changes in Dynamically Compressed Water

Michael G Stevenson, Lisa M V Zinta, Benjamin Heuser, Zhiyu He, Divyanshu Rajan, Mandy Bethkenhagen, Martin French, Armin Bergermann, Ronald Redmer, Thomas Cowan, Oliver Humphries, Julian Lütgert, Katja Voigt, Anja Schuster, Tommaso Vinci, Emma E McBride, Nicholas J Hartley, Arianna Gleason- Holbrook, Siegfried Glenzer, Silvia Pandolfi, Adrien Descamps, Benjamin Ofori-Okai, Christopher Schoenwaelder, Griffin Glenn, Luke B Fletcher, Bob Nagler, Hae Ja Lee, Eric Galtier, Dimitri Khaghani, Jean-Alexis Hernandez, Alessandra Ravasio, Dominik Kraus

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

Mineral inclusions as models to characterize deviatoric stress in single crystals

Marta Morana, Ross J. Angel, Alice Girani, Mara Murri, Frederico Alabarse, Matteo Alvaro

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

Achim Mathias Schaller, Maxim Bykov, Elena Bykova, Konstantin Glazyrin, Sander van Smaalen

Using crystallography tools to improve vaccine formulations

Márcia Carvalho de Abreu Fantini, Cristiano Luis Pinto Oliveira, José Luiz de Souza Lopes, Tereza da Silva Martins, Milena Apetito Akamatsu, Aryene Góes Trezena, Milene Tino de Franco, Viviane Fongaro Botosso, Osvaldo Augusto Brazil Esteves Sant´Anna, Nikolay Kardjilov, Martin Kjaerulf Rasmussen, Heloísa Nunes Bordallo

The science of symmetry breaking: A personal journey

Harold T Stokes

Introduction to session

Angela Altomare

Wrong organic crystal structures solved and refined from powder data

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

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

Katharine Page

Multiscale structural decoding of fibrous materials by SAXS and WAXD

Antonia Neels, Alex Dommann, Anjani Maurya

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

Dean DeLongchamp

Understanding Order and Correlation in Liquid Crystals by Fluctuation Scattering

Jack Binns, Patick Adams, Cameron M. Kewish, Tamar L. Greaves, Andrew V. Martin

Using the Pair Angle Distribution Function for Analysing Protein Structure

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

Introduction to session

Jonathan Paul Wright, Sinex Larsen

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

Frederik Vanmeert, Steven de Meyer, Arthur Gestels, Steven Saverwyns, Koen Janssens

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

Sangwon Lee, Tracy Berman, Can Yildirim, Kate Shanks, Carsten Detlefs, John Allison, Ashley Bucsek

Trindex - 3D Grain Orientation Mapping with Neutron Imaging

Patrick Kin Man Tung, Stavros Samothrakitis, Camilla Larsen, Nancy Elewa, Ryoji Kiyanagi, Takenao Shinohara, Luise Theil Kuhn, Robin Woracek, Markus Strobl, Petr Sittner, Soren Schmidt

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

Alejandro Rodriguez-Navarro, Natalia Dadivanyan, Anil Kumar, Milen Gateshki

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

Leora Dresselhaus-Marais

Diffraction imaging and tomography investigations on the hydration of gypsum plaster

Michela La Bella, Rogier Besselink, Alexander E. S. Van Driessche, Jonathan P. Wright, Carlotta Giacobbe, Alejandro Fernandez-Martinez