Introduction to session

John Richard Helliwell, Selina Lea Sophie Storm

Next-generation Automation and Remote-access Crystallography

Aina Cohen

Strength in Numbers: Exploiting the space between single crystal oscillation and serial femtosecond crystallography

Danny Axford, Sam Horrell, Robin Leslie Owen

Towards High-Throughput Autonomous Infrared Spectromicroscopy

Petrus Zwart, Liang Chen, Marcus Noack, Steven Lee, Patricia Valdespino Castillo, Hoi-Ying Holman

Strategy in the age of 360° sweeps

Andreas Förster, Marcus Müller, Clemens Schulze-Briese

Exploring the mechanism of elastically flexible crystals by automatic analysis

Amy Jayne Thompson, Jason Price, Kate Smith, Jack Clegg

Finding the optimal resolution cutoff with PAIREF

Martin Malý, Kay Diederichs, Jan Stránský, Kristýna Adámková, Tereza Skálová, Jan Dohnálek, Petr Kolenko

Introduction to session

Anna Maria Makal, Chérif F. Matta

Beyond multipolar pseudoatom transferability: accounting for intermolecular polarization effects in protein-ligand complexes.

Theo Leduc, Christian Jelsch, Benoit Guillot

Using advanced X-ray and neutron diffraction techniques in single molecule magnets research

Jacob Overgaard, Emil Damgaard-Møller, Lennard Krause, Iurii Kibalin, Emil Andreasen Klahn

Use of transferrable multipoles to extend the range of X-ray charge density study to variable-temperature and high pressure

Krešimir Molčanov, Valentina Milašinović, Anna Krawczuk, Nikita Bogdanov, Boris Zahkarov, Elena Boldyreva, Christian Jelsch

NCI-ELMO: towards a more quantitative description of non-covalent interactions in macromolecules

Erna Katharina Wieduwilt, Rubén Laplaza, Giovanni Macetti, David Arias-Olivares, Francesca Peccati, Julia Contreras-García, Alessandro Genoni

Organic eutectics: characterization, microstructural evolution, and properties.

Titas Pramanik, Ashish Anand, Janaky Sunil, Anjana Joseph, Chandrabhas Narayana, Somnath Dutta, Tayur N. Guru Row

Strength and nature of host-guest interactions in metal-organic frameworks from a quantum chemical perspective

Michelle Ernst, Ganna Gryn'ova

Introduction to session

Olivier C. Gagné, Anton Oliynyk

Unsupervised Knowledge Discovery in ‘Big’ Materials Data

Wenhao Sun

Predicting ground state and metastable crystal structures using elemental and phonon mode

Aria Mansouri Tehrani, Bastien F. Grosso, Ramon Frey, Nicola A. Spaldin

Beyond the constraints of chemistry: Crystal structure discovery in particle simulations

Julia Dshemuchadse, Pablo F. Damasceno, Carolyn L. Phillips, Sharon C. Glotzer, Michael Engel

Data-driven approaches on pair distribution function data: matrix factorization and clustering

Shuyan Zhang, Jie Gong, B. Reeja Jayan, Alan J. H. McGaughey

First-principle diffraction simulations as a tool to solve the nanodiffraction problem

Hande Öztürk, I. Cevdet Noyan

Study of noncovalent interactions using crystal structure data in the Cambridge Structural Database

Milan Milovanović, Jelena Živković, Dragan Ninković, Jelena Blagojević Filipović, Dubravka Vojislavljević–Vasilev, Ivana Veljković, Ivana Stanković, Dušan Malenov, Vesna Medaković, Dušan Veljković, Snežana Zarić

Introduction to session

Virginie Simonet, Václav Petříček

IInvestigating the nature of the magnetoelectric coupling in molecular (ND₄)₂[FeCl₅(D₂O)] via neutron scattering studies

W. Tian, R. S. Fishman, H. B. Cao, G. Sala, D. M. Pajerowski, V. O. Garlea, T. Hong, L. L. Daemen, Y. Q. Cheng, J. A. Fernandez-Baca

Multi-k magnetic phases and topological charges in the candidate Weyl semimetal CeAlGe

Jonathan White

Novel incommensurate magnetic phase in the magnetoelectric Sr-doped cobaltate CaBaCo₄O₇

Javier H. Lohr, Ana L. Larralde, Javier Curiale, Rodolfo D. Sánchez, Javier Campo, Gabriel J. Cuello, Denis Sheptyakov, Lukas Keller, Michel Kenzelmann, Gabriela Aurelio

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

Nikolina Penić, Damir Pajić, Marijana Đaković

Structural phase transition and magnetic phase diagram of the lacunar spinel GaMo₄Se₈

Praveen Vir, Kieran Routledge, Nicholas Cook, Philip A. E. Murgatroyd, Sheikh J. Ahmed, Stanislav N. Savvin, John B. Claridge, Jonathan Alaria

Neutron powder diffraction studies of magnetic transitions in Fe-based orthorhombic perovskites

Juan Pablo Bolletta, Antoine Maignan, Christine Martin, Raúl Ernesto Carbonio

Introduction to session

Eugene Krissinel, Christian Bertram Hübschle

Symmetry database of International Tables online

Eli Kroumova, Gemma de la Flor Martin, Nicola J. Ashcroft, Mois Ilia Aroyo

Macromolecular Model Building Over the Web

Victor S. Lamzin, Egor Sobolev, Philipp Heuser

Live monitoring onsite, remote and unattended data collection on synchrotron MX beamlines

David Aragao, Elliot Nelson

Introduction to invariant-based machine learning for periodic crystals

Vitaliy Kurlin, Jakob Ropers, Marco M Mosca, Olga Anosova

Solving Macromolecular Structures Online with CCP4

Ville Uski, Eugene Krissinel, Charles Ballard, Andrey Lebedev, Ronan Keegan

eSPC, an Online Data Analysis Platform for Molecular Biophysics

Maria m. Garcia Alai

Introduction to session

Nicolae Strungaru, Uwe Grimm

The mathematics of absolutely continuous diffraction

Chrizaldy Neil Manibo

Mean field theory calculations to model single crystal diffuse scattering

Ella Mara Schmidt, Johnathan Bulled, Andrew Goodwin

KOSSEL LINES AND X-RAY LOCALIZED CONICAL MODES

Vladimir Alekseevich Belyakov

Characterization of the correlated disorder in Ge₂Bi₄Te₇

Matthias Quintelier, Stefano Canossa, Mylène Hendrickx, Romy Poppe, Joke Hadermann

Tuning of disordered local structure in Prussian Blue analogues

Yevheniia Kholina, Arkadiy Simonov

Implementation for coping with sample and instrument effects for reverse Monte Carlo modelling of total scattering data

Yuanpeng Zhang

Introduction to session

Tatiana Gorelik, Xiadong Zhu

Approximate Rotational Symmetries in Electron Nanodiffraction from Amorphous Materials

Shuoyuan Huang, Carter Frances, Paul Voyles

Local structure analysis by pair distribution function obtained from a TEM

Cheuk-Wai Tai

Quantitative analysis of diffuse electron scattering in the lithium-ion battery cathode material Li_1.2Ni_0.13Mn_0.54Co_0.13O₂

Romy Poppe, Daphne Vandemeulebroucke, Reinhard B. Neder, Joke Hadermann

High-Throughput Electron Diffraction Reveals a Hidden Novel Metal-Organic Framework

Meng Ge, Zhehao Huang, Xiaodong Zou

Scanning Nano-Structure Electron Microscopy - Hidden Potential for Evolving Systems

Yevgeny Rakita, James L. Hart, Partha Pratim Das, Stavros Nicolopoulos, Sina Shahrezaei, Suveen Nigel Mathaudhu, Mitra L. Taheri, Simon J. L. Billinge

Information theory based plane symmetry classifications: revealing pseudo-symmetries in the presence of noise

Peter Moeck

Introduction to session

Andrew Alexander Stewart, Eva Olsson

Following structure evolution of SrFeO_x in redox reactions using in situ 3D electron diffraction

Maria Batuk, Daphne Vandemeulebroucke, Joke Hadermann

Time-resolved TEM beyond fast detectors

David J. Flannigan, Jialiang Chen, Wyatt Curtis, Daniel X. Du, Paige E. Engen, Elisah J. VandenBussche, Yichao Zhang

Time resolved x-ray diffraction studies of prospective crystalline materials under dynamic ultrasonic loads

Yan Eliovich, Anton Targonskiy, Alexander Blagov, Yuri Pisarevsky, Valentin Akkuratov, Andrei Protsenko, Michail Kovalchuk

Discovering and transforming precipitate phases in aluminium alloys using in situ transmission electron microscopy

Laure Bourgeois, Zezhong Zhang, Yong Zhang, Xiaofen Tan, Yiqiang Chen, Matthew Weyland, Philip N.H. Nakashima, Nikhil V. Medhekar

Elucidation of Linker Motion in Metal-Organic Frameworks by Three-Dimensional Electron Diffraction

Laura Samperisi, Aleksander Jaworski, Gurpreet Kaur, Karl P. Lillerud, Xiaodong Zou, Zhehao Huang

Introduction to session

Stephen K. Burley, Dina Schneidman

Crystal structure of the first orphan GPCR

Fei Xu

From integrative structural biology to cell biology

Andrej Sali

Crystal and Cryo-EM structures provide insight into how pro-neurodegenerative SARM1 is activated and cleave NAD⁺.

Thomas Ve, Weixi Gu, Jeffrey D. Nanson, Yun Shi, Katie Cunnea, Philip S. Kerry, Todd Bosanac, Robert O. Hughes, Bostjan Kobe

Structural studies of Cysteine Synthase Complex obtained from Klebsiella pneumoniae.

Shubham Semwal, Deepansh Mody, Vibha Gupta, Julie Bouckaert

Crystal structure of a complex between the electron-transfer partners arsenite oxidase and cytochrome c552, from the arsenite respiring bacterium Rhizobium sp. NT-26.

Nilakhi Poddar, Joanne M Santini, Megan J Maher

Structural evidence for active site complementation and diverse oligomerization in two bacterial α-L-Fucosidases from the same organism

Jan Dohnálek, Terézia Kovaľová, Tomáš Kovaľ, Jan Stránský, Petr Kolenko, Jarmila Dušková, Patricie Vodičková, Vojtěch Spiwok, Eva Benešová, Petra Lipovová

Introduction to session

Gilberto Artioli, Sebastian Bette

Operation Night Watch: macro- and microscale X-ray imaging studies on the Rembrandts’ masterpiece The Night Watch in the Rijksmuseum.

Katrien Keune, Victor Gonzalez, Annelies Loon, Frederique Broers, Nouchka Keyser de, Petria Noble, Frederik VanMeert, Steven DeMeyer, Koen Janssens

X-ray Microdiffraction of Cultural Heritage: Potentials und Limitations

Christoph Berthold

XRPD as a tool for the study of pigment-binder interactions: from metal formates to long-chain carboxylates

Silvie Švarcová, Eva Kočí, Petr Bezdička, Silvia Garrappa, Jiří Plocek, Ruslan Barranikov, Libor Kobera

Effects of soft tissue on the crystallographic changes to bone mineral upon heating

Hannah Louise Cross, Charlene Elizabeth Greenwood

A multidisciplinary study unveils the nature of a Roman ink of the I century AD

Chiaramaria Stani, Lara Gigli, Simone Pollastri, Mirta Sibilia, Alessandro Migliori, Francesco D’Amico, Chiara Schmid, Sabina Licen, Matteo Crosera, Gianpiero Adami, Pierluigi Barbieri, Jasper R. Plaisier, Giuliana Aquilanti, Lisa Vaccari, Stefano Buson, Federica Gonzato

A new tool for ancient artefact conservation studies: Electron Diffraction Tomography to study blue corrosion product in Chinese Bronze sample

Partha Pratim Das, Enrico Mugnaioli, Quanyu Wang, Stavros Nicolopoulos, Mauro Gemmi

Introduction to session

Alicja Rafalska-Lasocha, Petr Bezdička

Fingerprinting Natural Ultramarine in 15^th-17^th century Netherlandish paintings

Koen Henri JANSSENS, Steven De Meyer, Stijn Legrand, Frederik Vanmeert, Veronique Buecken, Annelies van Loon, Katrien Keune

The variety of calcium bearing efflorescence phases - An explanation by crystal chemistry

Sebastian Bette, Gerhard Eggert, Robert E. Dinnebier

Why is heptagonal symmetry so rare in art and architecture?

Arie van der Lee

Crystallography vs. human masterpiece: Li₂₀Mg₆Cu₁₃Al₄₂, Mg₉Ni₆Ga₁₄ and Mg₃Ni₂Ga structures vs. ivory puzzle balls

Grygoriy Dmytriv, Nazar Pavlyuk, Volodymyr Pavlyuk, Helmut Ehrenberg

Information theory based symmetry classifications of more or less 2D periodic patterns in Islamic building ornaments and Hans Hinterreiter’s graphic art

Peter Moeck

Laboratory X-ray powder diffraction as a useful tool for identification of pigments and degradation products in portrait miniatures painted on ivory

Eva Kočí, Petr Bezdička, Silvia Garrappa, David Hradil, Janka Hradilová, Michal Pech

Introduction to session

Alice Brink, Serena Chiara Tarantino

Crystallography schools and other educational activities in Latin America during the COVID-19 pandemic

Diego Germán Lamas

X-TechLab training sessions in Benin: towards borderless science education

Marielle Yasmine AGBAHOUNGBATA, Sourou Albert Sidoine BONOU, Thierry d'ALMEIDA, Michele ZEMA, Sekazi MTINGWA, Claude BORNA

Crystallographic education in real and reciprocal spacechromechrome

Dubravka Sisak Jung

Teaching crystallographic symmetry in Latin America. A 10-year review and perspectives.

Leopoldo Suescun

High impact crystallography skills development through local undergraduate curriculum and regional workshops and schools

Louise Nicole Dawe

Crystallography for all – Using the CSD to help promote interdisciplinarity in science

Suzanna Ward, Ilaria Gimondi