Schedule

Keynote

Synchrotron and XFEL Radiation
Keynote

Magnetic Structures
Keynote

We invite all attendees to take a moment to recharge and connect during our coffee break. Enjoy refreshments, meet colleagues, and continue the conversations sparked in the sessions. This is a perfect opportunity to network, relax, and refuel before the next part of the program.

Co-Chairs: Genji Kurisu & Jasmine Young Sponsoring Commission: Biological Macromolecules This session will explore how structural data from the PDB accelerates the development of novel therapeutics, enables structure-based drug design, and informs our understanding of disease mechanisms. Speakers will highlight recent breakthroughs, emerging computational tools, and the growing role of AI in leveraging PDB data for precision medicine. By bridging molecular structures with clinical applications, this session will showcase the PDB’s critical role in shaping the future of healthcare.

Biological Macromolecules

Co-Chairs: Julia Dshemuchadse & Thomas Doert Sponsoring Commission: Aperiodic Crystals Co-Sponsoring Commission: Magnetic Structures Supporting Commission: NMR Crystallography and Related Methods Co-Chairs: Julia Dshemuchadse & Thomas Doert Quasicrystalline, incommensurately modulated, and composite phases: structural complexity and emerging properties

Aperiodic Crystals
Magnetic Structures
NMR Crystallography and Related Methods

Co-Chairs: Tom Fitzgibbons & Susana Teixeira Sponsoring Commission: Small Angle Scattering The things we use and consume in everyday life often have unique and complex structures that give rise to their physical properties and dictate their overall performance. Small-angle X-ray and neutron scattering play a key role in gaining insight into these structures. This microsymposium will explore the role of formulation design and process engineering in the self-assembly of materials and their use in applications ranging from food to soaps and cosmetics to paints. A mixture of academic and industrial researchers will describe how advances in measurement science using small-angle scattering enable the next generation of high-performance, healthier, and more sustainable products.

Small-Angle Scattering

Co-Chairs: Weiwei Xie & Davide Delmonte Sponsoring Commission: Magnetic Structures Co-Sponsoring Commission: Crystal Growth and Characterization of Materials Supporting Commission: Powder Diffraction This microsymposium will explore recent synthetic, experimental, theoretical, and computational work that illuminates structure-property relationships in functional and multifunctional materials. “Functional” implies a material’s capacity to respond to stimuli, and “multifunctional” implies different and sometimes complementary physical properties that coexist in a unique crystallographic phase. Such material properties can enable the realization of new devices with improved characteristics such as sustainability, miniaturization, self-healing, adaptation, and self-assembly. Material classes and applications of particular interest include ferroics and piezoelectrics, multiferroics, photoferroelectrics, magneto-, electro-, and barocalorics, coupled sensing-actuating phases, and soft bio-inspired or hybrid materials grown in powder, single-crystal, film, or nanostructural form. Functional behaviors involving antiferromagnetic order are also of interest.

Crystal Growth and Characterization of Materials
Magnetic Structures
Powder Diffraction

Co-Chairs: Darren Pagan & Amanda Krause Sponsoring Commission: Diffraction Microstructure Imaging Many mesoscale diffraction microstructure imaging (DMI) techniques were originally developed to study the evolution of metallic alloys during thermomechanical processing. As these techniques mature, their application to other material systems, including ceramics, is rapidly expanding. Ceramics present challenges not typically encountered in metallic alloys, such as lower-symmetry crystal structures, the prevalence of crystallographically related domains, and usage in electromagnetic fields. This microsymposium will highlight recent research on the use of DMI techniques for ceramic materials, including novel DMI reconstruction methods, in operando measurements, and DMI during ceramic processing.

Diffraction Microstructure Imaging

Co-Chairs: Susan Reutzel-Edens & Jonas Nyman Sponsoring Commission: Structural Chemistry Co-Sponsoring Commission: CommDat It has been 37 years since John Maddox famously stated that our inability to predict the crystal structures of compounds was one of the “continuing scandals” in the physical sciences. Since then, enormous progress has been made, to the point that computational crystal structure prediction (CSP) has become widespread in both industrial and academic settings, being used to understand structure-property relationships and to inform decision-making on a daily basis. Despite this progress, CSP remains an evolving field as new targets with more challenging chemistries are pursued and state-of-the-art computational techniques are implemented. This microsymposium will showcase two broad aspects of CSP technology: first, the practical impact of CSP in predicting the packing of compounds and their associated properties, and second, the methodological advancements that have expanded its utilization. Contributions from both organic and inorganic CSP studies will demonstrate the broad impact, advances, and future directions of crystal structure prediction methodology, which has all but removed the stigma of having once been dubbed a “continuing scandal.”

Structural Chemistry
CommDat

Co-Chairs: Berthold Stoeger & Peter Khalifah Sponsoring Commission: Crystallographic Computing Co-Sponsoring Commission: Mathematical and Theoretical Crystallography This microsymposium addresses the crystallography of structures that are periodic in fewer than three dimensions. Complex crystallographic features such as twinning, stacking faults, or polytypism often arise when structures have subperiodic components (layers with 2D periodicity or rods with 1D periodicity). The crystallographic layer (80 types) and rod groups (75 types) play a central role in describing these phenomena, as do the noncrystallographic groups used to characterize the symmetry of nanotubes. The theory of subperiodic groups provides a key framework for understanding growth mechanisms and surface structures of crystals, relevant for applications such as chemical vapor deposition, epitaxial film growth, and faulting in layered battery cathode materials. While mature software tools exist for symmetry analysis of 3D periodic structures (e.g., MISSYM, ADDSYM, and PSEUDO), analogous tools for analyzing structures with lower-dimensional periodicity are lacking. This microsymposium will provide an opportunity to present fundamental algorithms and approximations for characterizing symmetry, to discuss software tools for suggesting, implementing, and validating symmetry assignments, and to describe the analysis of experimental data for real materials, while also highlighting unresolved challenges in the field.

Crystallographic Computing
Mathematical and Theoretical Crystallography

Co-Chairs: Ella Schmidt & Thomas Proffen Sponsoring Commission: IUCr Early Career Scientist Division Co-Sponsoring Commission: Committee for the Maintenance of the CIF Standard (COMCIFS) Did you know the International Union of Crystallography (IUCr) has 22 Commissions covering all branches of structural science, crystallographic techniques, and computing? Commission members are a diverse group of experts whose work ranges from driving and communicating scientific advances relevant to the IUCr, to implementing standards for data processing and scientific communication, as well as organizing and promoting conferences, specialized schools, and workshops. Another important role of the Commissions is to promote the IUCr journals, ensuring the long-term future of the Union. The aim of this microsymposium is for participants to get to know the Commissions better and learn about their work, with examples of their initiatives. More importantly, the microsymposium will also provide a forum for input from the community on the future work of the Commissions and promote channels for collaboration with the new Early Career Scientists Division (ECSD) to ensure generational renewal and diversity among Commission members.

IUCr Early Career Scientist Division
Committee for the Maintenance of the CIF Standard (COMCIFS)

Co-Chairs: Andrew Stewart & Laure Bourgeois Sponsoring Commission: Electron Crystallography Four-dimensional scanning transmission electron microscopy (4D-STEM) is a powerful approach that uses electron diffraction and imaging with small scanning electron probes to determine structural information at the atomic scale. The large amount of information obtained during a 4D-STEM experiment enables a wide range of applications in the high-resolution study of materials. This microsymposium will focus on the continued advancement of 4D-STEM methods as well as the many new and exciting structural studies made possible by this technique.

Electron Crystallography

Co-Chairs: Zhidan Zeng & Masaaki Matsuda Sponsoring Commission: High Pressure Co-Sponsoring Commission: Magnetic Structures Supporting Commission: Synchrotron and XFEL Radiation This microsymposium highlights the transformative role of pressure in tailoring the properties of novel materials, from discovery to application. High-pressure and high-energy-density (HED) science explores the fundamental behavior of matter under extreme conditions, providing valuable insights into phase stability (e.g., in planetary interiors), material synthesis, and the exotic physics of electronic and magnetic materials that are otherwise inaccessible under ambient conditions. With rapid advancements in X-ray free-electron lasers (XFELs), synchrotrons, neutron scattering sources, and dynamic compression techniques, researchers can now probe matter at unprecedented pressures, temperatures, and time scales. Advances in in-situ characterization techniques allow researchers to observe real-time changes at the atomic and electronic levels under pressure, revealing how pressure-driven transformations lead to new optical, magnetic, and electrical properties. Join leading researchers as they discuss groundbreaking discoveries, cutting-edge methodologies, and the future of high-pressure materials science.

High Pressure
Magnetic Structures
Synchrotron and XFEL Radiation

Organizers: Santosh Panjikar & Martin Lutz The Software Fayre at the 27th IUCr Congress (Calgary, August 11-18, 2026) offers a forum for developers to present new crystallographic software and demonstrate their features through hands-on tutorials. The Fayre will be held August 12-18, with time slots available for registration.

Crystallographic Computing

Explore the latest discoveries at our poster session! Meet presenters, ask questions, and connect with colleagues in a relaxed, interactive setting.

Take a midday break to enjoy lunch with fellow attendees. This is a great opportunity to relax, refuel, and continue conversations while networking with colleagues.

Co-Chairs: Holger Stark Sponsoring Commission: Biological Macromolecules Co-Sponsoring Commission: Synchrotron and XFEL Radiation X-ray and electron-based structural biology are at the forefront of elucidating macromolecular structures, pushing the boundaries of resolution and experimental capabilities. With the rapid development of cryo-EM, microcrystallography, and serial femtosecond crystallography, researchers now have an expanding toolkit to explore biological structures under increasingly native conditions. This session will focus on the latest advancements in X-ray and electron structural biology, including new detector technologies, phase retrieval methods, hybrid approaches combining crystallography and cryo-EM, and applications in challenging biological systems. Despite these advances, critical challenges remain. The need for high-quality sample preparation, data collection strategies, and improved integration of complementary methods continues to drive innovation. We will explore cutting-edge developments in synchrotron- and XFEL-based macromolecular crystallography, cryo-EM, and cryo-ET, as well as computational methods that enhance structure determination across these modalities.

Biological Macromolecules
Synchrotron and XFEL Radiation

Co-Chairs: Dominika Borek & Deborah Harrus Sponsoring Commission: Biological Macromolecules This microsymposium will explore validation strategies and metrics, including machine learning-assisted assessment, atomic-level precision metrics, and cross-validation with experimental data and computational techniques. Speakers may discuss new developments in error detection, bias correction, ensemble model validation, and quality assessment pipelines, such as those used in databases like the PDB and CCDC. This microsymposium will provide insights into the future of validation for structural models across crystallography, cryo-EM, and integrative modeling.

Biological Macromolecules

Co-Chairs: Olga Anosova & Santosh Panjikar Sponsoring Commission: Crystallographic Computing Co-Sponsoring Commission: Mathematical and Theoretical Crystallography The rapid growth of crystallographic data presents both challenges and opportunities for structural science. Harnessing big data techniques has become crucial for mining and analyzing massive crystal databases, enabling the discovery of trends and patterns that can advance our understanding of molecular structures and interactions. Computational approaches such as machine learning, artificial intelligence, and data-driven analytics are revolutionizing how crystallographic data is processed, allowing researchers to identify hidden correlations, optimize experimental conditions, and refine structural models with unprecedented accuracy. The integration of diverse datasets from different experimental techniques further enhances the power of big data in crystallography, facilitating comprehensive insights into structural dynamics and function. This microsymposium will explore the latest advancements in big data applications within crystallography, addressing challenges related to data management, scalability, and standardization.

Crystallographic Computing
Mathematical and Theoretical Crystallography

Co-Chairs: Stuart Calder & Yusuke Kousaka Sponsoring Commission: Magnetic Structures For advancing next-generation technologies, from energy-efficient information storage and multifunctional materials to efficient energy conversion, magnetism is one of the key properties. This microsymposium will explore cutting-edge research at the intersection of fundamental mechanisms and novel applications, with a focus on the relationship between magnetic structure and properties. Key topics include spintronic materials in the context of low-power electronics and coupling phenomena such as magnetoelasticity and multiferroicity. Advances in magnetocaloric and spin-thermoelectric materials will also be in scope, highlighting their potential for energy conversion applications. By sharing the latest fundamental insights, this microsymposium aims to stimulate interdisciplinary discussions and facilitate research activity in the field of applied magnetism.

Magnetic Structures

Co-Chairs: Alexis Nelson & Helen Maynard Casely Sponsoring Commission: Crystallographic Teaching This microsymposium will focus on how to effectively engage students at any level, as well as the wider public, with crystallography. Specific topics may include training and mentoring in research that involves crystallography, pedagogy and the development of crystallography teaching infrastructure, the presentation and evaluation of outreach efforts, effective involvement of students at synchrotron facilities, and the maintenance of crystallography resources for engaging students.

Crystallographic Teaching

Co-Chairs: Natalia Alvarez & Alice Brink Sponsoring Commission: Structural Chemistry This microsymposium will explore coordination chemistry and focus on the rational design of ligands, crystallographic studies of metal complexes, and their applications in medicinal inorganic chemistry. The session will address advanced strategies for developing customized ligands capable of modulating the electronic, geometric, and reactive properties of metal complexes. The latest trends in the synthesis and characterization of these systems will be discussed, with an emphasis on the use of single-crystal X-ray diffraction techniques to elucidate their structures at the atomic level. In the context of medicinal inorganic chemistry, the microsymposium will highlight the therapeutic potential of metal complexes such as those of copper(II), platinum(II), or technetium-99m—metallic ions that have played a significant role in metalloprotein interactions and modern drug development. Research highlighting structural aspects of mechanism of action, chemical reaction mechanisms, and structure-activity relationships, including the generation of reactive oxygen species (ROS) and interactions with target biomolecules, is welcomed. The integration of crystallographic studies with biological assays will be emphasized as an essential tool for the development of new therapeutic agents and controlled drug delivery systems. Key topics will include the design of ligands to achieve specific functionalities in metal complexes, the facilitation of ligand-biomolecule binding, post-synthetic modification strategies, and the description of crystal intermolecular interactions and their relationship with the physicochemical properties of the complexes. This multidisciplinary approach aims to unite fundamental advances in coordination chemistry with innovative applications in medicine, promoting the creation of functional systems to address global health challenges.

Structural Chemistry

Co-Chairs: Florian Kleemiss & Christian Jelsch Sponsoring Commission: Crystallographic Computing Co-Sponsoring Commission: Quantum Crystallography Supporting Commission: COMCIFS Quantum crystallography computing has emerged as a powerful approach to enhance electron density interpretation and gain deeper insights into chemical bonding within complex crystalline systems. By integrating quantum mechanical calculations with experimental crystallographic data, researchers can achieve a more accurate representation of electron distributions, particularly in systems containing metal centers and intricate bonding environments. This approach complements traditional methods by enabling the refinement of atomic models and the identification of subtle electronic effects such as charge delocalization, polarization, and hybridization. The application of quantum crystallography spans diverse fields, including materials science, structural biology, and pharmaceutical research, where it provides significant potential for advancing the understanding of metalloproteins, coordination complexes, and catalytic systems. Advances in computational methodologies such as density functional theory (DFT) and wavefunction-based approaches are continuously improving the accuracy and efficiency of these calculations, bridging the gap between theoretical predictions and experimental observations. This microsymposium aims to explore recent developments in quantum crystallography computing, focusing on innovative computational approaches for electron density and chemical bonding analysis, challenges in integrating quantum and experimental data, applications in structural biology, materials science, and catalysis, as well as emerging trends and future directions in quantum crystallographic computing. The microsymposium will provide a platform for researchers to discuss current applications, challenges, and advancements in the field, fostering collaboration and innovation in experimental and computational quantum crystallography.

Crystallographic Computing
Quantum Crystallography

Co-Chairs: Helmut Schober & Harry Westfahl, Jr. Sponsoring Commission: Synchrotron and XFEL Radiation The development of next-generation X-ray and neutron sources is revolutionizing experimental science, enabling unprecedented capabilities in imaging, spectroscopy, and structural determination across multiple disciplines. With the advent of diffraction-limited storage rings (DLSRs), high-repetition-rate X-ray free-electron lasers (XFELs), and advanced neutron sources, researchers can now probe materials and biological systems with greater sensitivity, resolution, and temporal precision. This microsymposium will highlight the latest advancements in synchrotron radiation, free-electron lasers, neutron sources, and high-brightness beamlines, as well as their applications in physics, chemistry, biology, and materials science.

Synchrotron and XFEL Radiation

Co-Chairs: Berthold Stöger & Isabella Pignatelli Sponsoring Commission: Inorganic and Mineral Structures Co-Sponsoring Commission: Aperiodic Crystals Modular structures are built of distinct layers, rods, or blocks that can be arranged in different ways. They are ubiquitously found in synthetic inorganic chemistry as well as in mineral compounds and lead to challenging crystallographic problems such as OD structures, polytypes, twinning, allotwinning, or diffuse scattering owing to disorder. Moreover, recognition of the modular character of a structure allows for classification into structure families. The symmetry description of modular structures, as well as their modeling using approaches such as superspace formalism, is an active area of research.

Aperiodic Crystals
Inorganic and Mineral Structures

Co-Chairs: Amy Lazicki & Sakura Pascarelli Sponsoring Commission: High Pressure This microsymposium will focus on the behavior of metastable materials under dynamic compression, an important area of research with implications for physics, planetary science, and the study of exoplanets. Dynamic compression experiments, often achieved through high-energy lasers or shock waves, reveal how materials transition into metastable states that defy equilibrium predictions. These metastable phases can exhibit unique properties, offering insights into material strength, phase transformations, and energy storage mechanisms. Understanding these phenomena is not only fundamental to advancing materials science but also essential for modeling the interiors of exoplanets, where extreme pressures and temperatures create similar conditions. This microsymposium will bring together researchers to discuss advanced experimental techniques and innovative approaches that shed light on the metastable behavior of materials under dynamic compression.

High Pressure

Explore the latest discoveries at our poster session! Meet presenters, ask questions, and connect with colleagues in a relaxed, interactive setting. Light food and beverages will be provided.

High Pressure
Plenary