Collected abstracts
(as prepared for publication in Acta Cryst., ~ 300 Mb)

The abstracts have been published in Acta Crystallographica

See also Presentations for more information for authors and how the hybride meeting should look like.

Changes are possible. Dates and time as well as further specifications of poster sessions to be determined. Some are formally placed at the end of agenda.

Preliminary schematic time schedule

(for details, see above)

The conference programme has been prepared by the International Programme Committee (IPC) and session co-chairs.

Prize Winners

Ewald Prize
Olga Kennard
Braggs Prize

James Fraser
Targeting COVID-19 Viral Enzymes in an Evolving Landscape of Publishing and Peer Review
Braggs Prize

Jean-Philippe Julien
Structure-guided design of next-generation malaria vaccine

Plenary Lectures

Helen Berman
How data have revealed the structural universe
David Eisenberg
The structural biology of pathogenic amyloid fibrils
Clare Grey
In situ studies of battery materials with NMR crystallography

Keynote Lectures

Abakumov Artem
Skolkovo Institute of Science and Technology
Order and disorder in metal-ion battery materials
Artioli Gilberto
University of Padova
Crystallography and cultural heritage – On beauty, science and passion
Arulandu Arockkiasamy
International Centre for Genetic Engineering and Biotechnology (ICGEB)
New Delhi
Structure guided inhibitor discovery targeting a membrane receptor involved in atherosclerosis
Blagov Aleksandr
NRC Kurchatov Institute
4th generation SR and XFEL facilities: new era in crystallography and material science
Boscherini Federico
University of Bologna
X-ray absorption spectroscopy and materials science: recent advances
Contreras-Garcia Julia
Pierre and Marie Curie University
Electron density, and its interplay with the energy and properties of molecules and solids
Fantini Marcia
Instituto de Fisica
Sao Paulo
The contribution of crystallography to new vaccine formulations
Fisher Zoe
European Spallation Source
Neutron structural biology
Fujita Makoto
University of Tokyo
Crystalline sponge, metal-organic assemblies
Garcia-Ruiz Juan Manuel
Instituto Andaluz de Ciencias de la Tierra
The crystal and the rose: On the impact of crystals and crystallography in art and mind
Gonen Tamir
University of California
Loas Angeles
Universidad de Los Andes
MicroED: conception, practice and future opportunities
Goodwin Andrew
University of Oxford
Structural flexibility and disorder in functional materials
Grey Clare
University of Cambridge
In situ studies of battery materials with NMR crystallography
Grimm Uwe
The Open University
Milton Keynes
State of the art understanding of diffraction from aperiodic crystals
Haynes Delia
Stellenbosch University
South Africa
Dithiadiazolyl radicals as building blocks for molecular materials
Hovmoller Sven
Arrhenius Laboratory, Stockholm University
Gjonnes medal lecture
Chamard Virginie
Aix-Marseille Université
Novel insights on biomineralization using x-rays and optical coherent diffraction based imaging
Jayatilaka Dylan
University of Western Australia
Quantum Crystallography: Past, Present, and Future
Kolb Ute
Johannes Gutenberg-Universität
Gjonnes medal lectures
Krivovichev Sergey
St. Petersburg University
St. Petersburg
Complexity in crystals and minerals
Kroon-Batenburg Loes
Utrecht University
Metadata and checkCIF for raw diffraction data in realising ultimate crystallographic objectivity
Ma Yanming
Jilin University
Record high superconductivity in sodalite-like rare-earth hydrides stabilized at high pressures
Macchi Piero
Dep. of Chemistry, Materials and Chemical Engineering, Politecnico di Milano
Quantum crystallography and spintronic materials
Oliva Glaucius
Universidade de Sao Paulo
Sao Paulo
A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process and the Discovery of Inhibitors
Palatinus Lukas
Institue of Physics, Czech Academy of Sciences
Czech Republic
Electron crystallography of molecular crystals
Pearson Arwen R.
University of Hamburg
Time resolved macromolecular crystallography
Rauch Edgar
University of Grenoble
Identification of secondary phase structure using 4D Precession Electron Diffraction
Reddy Malla
Mechanical properties of crystals
Reutzel-Edens Susan
Eli-Lilly Company
Crystal forms in pharmaceutical applications
Reusse Gwenaelle
College de France
In-situ and in-operando diffraction studies of Li ion battery electrodes
Shibayama Mitsushiro
University of Tokyo
Soft Matter
Stark Holger
MPI for Biophysical Chemistry
The symbiosis of cryo-EM and X-ray crystallography in structure determination of large macromolecular systems
Stokes Harold
Brigham Young University
Provo, Utah
The science of symmetry breaking
Strynadka Natalie
University of British Columbia
Structural hybrid methods to probe membrane transport nanomachines in pathogenic bacteria
Thorn Andrea
Institute for Nanostructure and Solid State Physics,
Universität Hamburg
The Coronavirus Structural Task Force
Yang Wei
Laboratory of Molecular Biology, NIDDK
Bethesda, MD
Structural biology insights into antibody diversity through gene recombination mechanisms
Heinemann Udo
Center for Molecular Medicine,
Gene expression regulation
Dubrovinsky Leonid
Bayreuth University
Stress state in a diamond anvil cell at megabar pressures at ambient and high temperatures

List of all standard sessions with co-chairs and invited speakers

MS IDs assigned at the the time of proposal are different than session numbers in conference agenda – schedule.

MS titleProposedSupported by
Composite and incommensurate modulated crystals: structural and physical propertiesCAC
Structure, modeling and properties of quasicrystalsCAC
Macromolecular machines and hybrid methods to crystallographyCBM
New methods to fight the pandemicOthersCBM
Structural biology against coronavirus/covid-1OthersCBM
Protein design and engineeringCBM
Structural biology of eukaryotic immune systemsCBM
Ultra-high resolution macromolecular crystallography and quantum biocrystallographyCBMCBM CQC CSynr CommDat
Fragment Screening, LCP, and AutomationCBMCQC CSynr CommDat
Nucleic acids and binding proteins structure and functionCBMCBM
Validation of cryoEM structures and mapsCBMCEC CommDat
Integrative structural biology: The next 50 years of the Protein Data BankCBMCSynr CommDat
Structure guided drug design and antibiotic resistance targetsCBM
Structural biology of enzymes, mechanism and regulationCBM
X-ray spectrometry and X-ray diffraction in art and archaeologyCCACHCXAFS
Science meets art: Crystallography and cultural heritageCCACHCAC CMTC
Automation in bio-crystallography: tools, perspectives and applicationsCCCCBM
High troughput vs. careful planning: How to get the best data?CCCCSynr CommDat
Handling of big data in crystallographyCCCCSynr CommDat
Data-driven discovery in crystallographyCCCCCC CCM CIMS CommDat
Machine learning in biological and structural sciences CCCCBM CCT
Structural bioinformaticsCCCCBM
The mineral/life interface – prebiotic chemistry, biomineralization, advanced biomimetic materialsCCGCMCQC CIMS CXAFS
2D type crystals and their heterostructuresCCGCM
Hydrogen rich compounds: design, properties & phase transitions at high pressuresCCM
Topological materialsCCM
Nanocrystalline materialsCCM
Crystal structure predictionCCMCCC
Social media and new frontiers for spreading crystallographicCCT
Crystallography schools to promote interdisciplinarity in scienceCCT
CryoEM for macromolecules – from single particles to microcrystalsCECCBM CSynr
Combination of X-ray and electrons for structure characterizationCECCPD CSynr
Application of electron crystallography to functional materialsCECCCGCM CIMS
Analysis of the fine structure in electron diffraction dataCECCAC CommDat
In-situ and time resolved electron crystallographyCEC
Crystal structures of pharmaceutical and organic compounds from electron diffractionCEC
Recent advances in electron crystallography techniquesCEC
Texture, strain and structure in metals and ceramicsCIMSCCM CPD
Organic minerals, metal-organic frameworks, and metal-oxygen clusters: the emergent interface of geochemistry and crystal engineeringCIMSCSC
Modular structure of inorganic and mineral compoundsCIMSCMTC
Complex structures of minerals and inorganic materialsCIMS
Magnetic structures of novel and functional materialsCMSCIMS CNS
Methods and software developments for magnetic-structure analysisCMSCAC CCC CNS
Molecular magnets and metal-organic frameworks including quantum crystallography approachesCMSCQC CSC
Magnetic structures at extreme conditions and in extreme samplesCMSCHP CIMS CNS
Symmetry aspects of magnetic order and magnetic propertiesCMSCAC CMTC CPD
Frustrated magnetic order and emerging scienceCMSCCGCM CNS
Structural, electronic and magnetic ordering: From fundamental physics to functionalityCMSCIMS CNS
Beyond pure point diffraction: Theory and application of diffuse scatteringCMTCCAC CQC
Graphs, tilings and crystal structuresCMTCCQC
Generalizations of crystallographic groups and their applicationsCMTCCQC
Polymorphism and structural transformation of organic crystals from synthesis to characterizationCNMRCSC
New methods and strategies in NMR crystallography in – Honour of Francis TaulelleCNMR
Neutron scattering sources, applicationsCNS
Pre and post publication peer review of crystallographic dataCommDatCAC CBM
In-situ and operando studies of battery materialsCPDCNS
Diffraction imaging, grain mapping in materials and artCPDCCACH
Structure solution and poorly crystalline materialsCPD
Total scatteringCPDCNS
Phase transitions in complex materials (structure and magnetism)CPD
Materials for energy conversion and storageCPD
Combining X-ray diffraction and spectroscopy to characterise materialsCPDCPD
Quantum crystallography in materials scienceCQCCAC
Quantum crystallography challenges and newest accomplishmentsCQCCAC
Quantum crystallographic studies on intra/inter-molecular interactionsCQCCSC
Large scale facilities for quantum crystallography researchCQC
Solution scattering and combined techniques for biological systems, including component dynamicsCSASCBM CQC
Integrative methodologies for novel thin film structuresCSASCCM CPD CSC
Time-resolved phase evolution, interaction & crystallization in soft matter: Integrative approachesCSASCQC
Small- and Wide-Angle Scattering for industrial materials far from equilibriumCSAS
Function and application of porous crystalsCSC
New trends in pharmaceutical materialsCSC
Ab initio powder structure analysis for polymorphism and phase transformation studies with pharmaceutical applicationsCSCCEC
Crystallographic approaches for designing new framework materials (including post-synthetic modification)CSC
Porous framework materials for gas adsorption/separationCSCCNMR
Dynamic frameworksCSC
Crystal chemistry with emerging technologyCSC
Crystallization mechanisms of small molecule systemsCSC
Stimuli-responsive crystalline compoundsCSC
Solid state reactions and dynamicsCSC
Non-covalent interactions in crystal engineeringCSC
Theory and practice of supramolecular synthons in crystal engineeringCSC
New applications of coherent scatteringCSynrCBM CMS
Ptychography: present and near futureCSynrCEC
Time-dependent phenomena in the fs to ns regime (studied using ultrashort x-ray pulses)CSynrCBM CSC
Matter at extreme conditions at SR and XFEL: complementarity of spectroscopy and diffractionCSynrCQC CHP CPD CXAFS
4th generation SR and XFEL FacilitiesCSynrCBM CXAFS
Catalysis: functionalized materials studied by XRD and XAFSCXAFS
XAS and crystallography allied for geomaterials and environmental problemsCXAFSCIMS CPD
Advanced methods for analysis of XAFS and crystallographic dataCXAFSCommDat
Disordered materials: spectroscopic and scattering techniquesCXAFSCEC CNS CPD
Spectroscopy applied to electrochemistry: operando studiesCXAFSCNMR
High-pressure CrystallographyCHPCCM
Crystallography using large volume presses and diamond anvil cellsCHP
Recent advances in instrumentationother

Special sessions

MS original ID, details, chairsMS titleProposedSupported by
Online crystallography: Tools, apps and web servicesCCT
Advances in data and model validation in biomolecular Small-Angle Scattering: Impacts on data and meta-data recording and data archivingCBMCommDat
Session in the memory of An-Pang Tsai: from quasicrystals to catalysisCAC
Exemplary practice in chemical, biological and materials database archivingCBMCommDat
Using crystallography for education during the pandemicCCT

 Poster sessions

  • Advances in instrumentation
  • Combining X-Ray Diffraction and Spectroscopy to Characterise Materials
  • Complex structures of minerals and inorganic materials
  • Composite and Incommensurate Modulated Crystals
  • Crystallography in art and archaeology
  • Cryo-EM
  • Crystallographic data
  • Crystallography in industry and applied sciences
  • Disordered: Disordered materials
  • Electron crystallography
  • High Pressure Crystallography
  • Hot structures of biological importance
  • Materials for energy conversion and storage
  • Magnetic structures, magnetic materials
  • Metal-organic frameworks
  • Nanomaterials
  • NMR crystallography
  • Non-covalent interactions in crystal engineering
  • Perovskites
  • Phase transitions in advanced materials
  • Polymorphism
  • Porous materials
  • Quantum crystallography
  • Structural biology of enzymes
  • Structural biology of receptors, membrane proteins
  • Structural biology of viruses
  • Theoretical crystallography
  • Total scattering
  • XAFS
  • Biological crystallography
  • Chemical crystallography
  • Physical crystallography
  • Materials