Microsymposia

Focus Area 1 - Biological and Macromolecular Crystallography

MS01: Serial Approaches in Crystallography

Chairs:

  • Thomas Schneider (EMBL Hambug, Germany)
  • Gisela Brandén (University of Gothenburg, Sweden)

Both results as well as method development.


MS02: Fragment/Ligand Binding: Tools Development

Chairs:

  • Christoph Mueller-Dieckmann (ESFR, France)
  • Melanie Vollmar (Diamond, United Kingdom)

Software and pipeline developments, Instrumentation.


MS03: Crystallisation and Biophysical Characerisation

Chairs:

  • Isabel Moraes (National Physical Laboratory, United Kingdom)
  • Jaqueline Cherfils (CNRS -Ecole normale supérieure Paris-Saclay, France)

Crystallisation remains a bottleneck. Sample characterisation through biophysical methods can help to streamline the crystallisation process.


MS04: Progress of Methods in High Resolution Cryo-EM

Chairs:

  • Holger Stark (Max-Planck-Institute for Biophysical Chemistry, Germany)
  • Thomas Marlovits (University Medical Center Hamburg, Germany)


Recent methods development in high resolution cryo-EM.


MS05: Proteins in Signalling (Including Membrane Proteins)

Chairs:

  • Thomas Leonard (MFPL, Austria)
  • Anastassis Perrakis (National Cancer Institure, Amsterdam, Netherlands)

From membrane receptors (e.g. GPCRs)  to soluble signal transductors.


MS06: Proteins-Nucleic-Acid Interactions

Chairs:

  • Ralf Ficner (University of Göttingen, Germany)
  • Bohdan Schneider (Institute of Biotechnology CAS, Czech Republic)

Interactions of proteins with RNA and/or DNA is important for cell maintenance, division, cell-cycle, differentiation.


MS07: Structural Enzymology

Chairs:

  • Maria Solà (Molecular Biology Institute of Barcelona, Spain)
  • Irmi Sinning (University of Heidelberg, Germany)

Enzymes remain a classical group of proteins. Knowledge on catalysis can lead to greener chemistry, new biomarkers or new technologies related health and food.


MS08: Hot Structures

Chairs:

  • Luca Jovine (Karolinska Institute, Sweden)
  • Martin Caffrey (Trinity College Dublin, Ireland)

Biocrystallography brings large amounts of important new structural data relevant not only for biology but also for general knowledge on living systems. The latest most relevant results will be presented.


MS09: Low Resolution Software Development

Chairs:

  • Alexandre Urzhumtsev (Institute of Genetics and Molecular and Cellular Biology, France)
  • Victor Lamzin (EMBL Hamburg, Germany)

This microsymposium invites contributions presenting methods, approaches and their software implementations for any step (from data collection to validation and interpretation) in obtaining a macromolecular structure from limited (low-resolution) diffraction data with complementary information.


MS10: Validation, Errors and Noise in Macromolecular Crystallography

Chairs:

  • Gerard Bricogne (Global Phasing, United Kingdom)
  • Kay Diederichs (University of Konstanz, Germany)

The quality of collected and processed data is a particularly important topic in macromolecular crystallography, especially in the context of recently new techniques of serial and electron MX.


MS11: Big Data at Facilities and Cloud Computing in Crystallography

Chairs:

  • Ana Gonzales (MAX IV Labratory, Sweden)
  • Sameer Velankar (European Bioinformatics Institute, United Kingdom)

With new detectors, new techniques and new facilities, the role of data in crystallography has never been so important. This session will concern all aspects of "big data" in crystallography, from the sources of the data at X-ray facilities through to data mining in databases of deposited structures.


MS12: Structural Bioinformatics

Chairs:

  • Eugene Kissinel (Science & Technology Facilities Council, United Kingdom)
  • Oliviero Carugo (University of Pavia, Italy)

Bioinformatics for Crystallographers.


Focus Area 2 - Materials and Minerals

MS13: Biomineralogy and Bioinspired Materials

Chairs:

  • Wolfgang Schmahl (Leibnitz Supercomputing Center, Germany)

Structural characterization of biominerals, which are produced by living organisms. Development of new materials, with crystallographic or morphologic properties inspired by biology.


MS14: Mineralogical and Inorganic Crystallography

Chairs:

  • Frédéric Hatert (University of Liège, Belgium)
  • Marie Colmont (Ecole Nationale Supérieure de Chimie de Lille, France)

The structural characterization of minerals or inorganic compounds.


MS15: Minerals and Materials under Extreme Conditions

Chairs:

  • Paul Attfiled (University of Edinburgh, United Kingdom)
  • Hubert Huppertz (Leopold-Franzens-University Innsbruck, Austria)

Crystallography of minerals and materials under extreme conditions including e.g. high pressure, extreme temperatures,  magnetic and electric fields.


MS16: Structural Characterization of Functional Materials

Chairs:

  • Virginia Monteseguro-Padron (European Synchrotron Radiation Facility, France)
  • Simona Galli (Università dell'Insubria, Italy)

Structural characterization of functional materials: storage & battery materials, energy production technologies, zeolites, catalyzers.


MS17: Pressure and Mechanical Stress Induced Phase Transition and Polymorphism in Inorganic, Metalorganic and Organic Compounds

Chairs:

  • Karen Appel (European XFEL, Germany)
  • Boris Zakharov (Institute of Solid State Chemistry and Mechanochemistry of the Siberian Branch of the Russian Academy of Sciences, Russia)

Phase transitions and polymorphism induced by pressure or mechanical stress in all types of materials and compounds.


MS18: Materials for Energy Storage and Conversion

Chairs:

  • Y. Filinchuk (Université catholique de Louvain, Belgium)
  • Manuel Hinterstein (Karlsruhe Institute of Technology, United States of America)

Crystallography of materials with applications in energy saving.


MS19: Quantum Materials

Chairs:

  • Manuel Angst (Forschungszentrum Jülich GmbH, Germany)
  • Bruce Gaulin (McMaster University, Canada)

Crystallography of quantum materials materials with strong electronic correlations and electronic order (superconducting, magnetic order). 


Focus Area 3 - Physical Including Fundamental Crystallography

MS20: Combined Approaches for Structure Characterization of Complex Materials at Multiple Lenght Scales

Chairs:

  • Artem Abakumov (Skolkovo Institute of Science and Technology, Russia)
  • Lukas Palatinus (Institute of Physics of the Czech Academy of Sciences, Czech Republic)

The MS is dedicated to contributions about structure characterization of complex structures including functional materials, minerals and related compounds, and about related analytical methodologies. Particular focus is given to works combining different scientific approaches, among which diffraction, microscopy, spectroscopies, the application of superspace, and local structure approaches.


MS21: Modern Quantum Crystallography

Chairs:

  • Sajesh P. Thomas (Aarhus University, Denmark)
  • Piero Macchi  (University of Bern, Switzerland)

SIG2 has changed its name from "charge, spin and momentum density" to "quantum crystallography" to reflect the recent developments in the community of accurate and physical crystallography. Therefore, it is very timely to give this new and growing community a platform to present applications behind the new term quantum crystallography.


MS22: Structure-Property Relationships via Charge Density Methods

Chairs:

  • Anna Krawczuk (Jagiellonian University, Poland)
  • Lilianna Checinska (Lodz University, Poland)

Sub-atomic resolution crystallography has a major impact on the elucidation of structure-property relationships. Method advancements as well as applications to materials or drug design are supposed to be part of this MS.


MS23: Aperiodic and Modulated Structures

Chairs:

  • Kirsten E. Christensen (University of Oxford, United Kingdom)

All kind of contributions on the structural properties of minerals, inorganic materials, organic molecular crystals and organometallics exhibiting aperiodic order or having long period structural modulations. Modular structures, having analogous properties, are also included. It will focus on contributions showing the importance of their knowledge for the understanding the structures, and the methods for their determination.


MS24: Magnetic Order: Methods and Properties

Chairs:

  • Pascal Manuel (STFC Rutherford Appleton Laboratory, United Kingdom)                       
  • Manuel Perez Mato (University of the Basque Country, Spain)

Research work on magnetoelectrics, multiferroics, magnetocalorics, skyrmions, or any kind of functional magnetic materials is welcome. Characterization of commensurate and incommensurate magnetic structures, and their correlation with  their physical properties. Special focus will be given to the most recent approaches, in particular the application of superspace formalism in the study of incommensurate spin arrangements.  


MS25: Electron Crystallography as a Tool for Structure Solution and Refinement

Chairs:

  • Xiaodong Zou (Stockholm University, Sweden)  
  • Tatiana Gorelik (University of Ulm, Germany)

New methods are being developed and new fields of application explored, especially in the domain of nano-structured materials where the strong interaction of electrons with matter and the unchallenged spatial resolution find their highest advantage. In this microsymposium we invite contributions using any electron technique (diffraction, imaging, …) for the resolution (and refinement) of crystallographic structures as well as contributions of new developments in the methods.


MS26: Complex Metallic Alloys: Periodic and Non Periodic

Chairs:

  • Louisa Meshi (Ben-Gurion University of the Negev, Israel)
  • Radoslaw Strzalka (AGH University of Science and Technology, Poland)

Complex metallic alloys are interesting materials for their properties as well as for fundamental questions on crystal structures. The resolution of their structures is challenging since the structures are complex and there are no fixed bond angles or bond valence sums that can help verify the correctness a solution. We invite contributions on the characterization of these fascinating materials by electron crystallography or any other complementary method.


MS27: Structural Dynamics, Disorder and Physical Properties

Chairs:

  • Dmitry Chernyshov (European Synchrotron Radiation Facility, France)
  • Ruggero Frison (Empa Swiss Federal Laboratories for Materials Science and Technologies, Switzerland)

Disorder and Dynamics play a major role for the properties of crystals, and can be probed by a range of different scattering techniques most often in combination with simulations.


MS28: Dynamics and Disorder Probed by Diffuse Scattering

Chairs:

  • Anders Ø. Madsen (University of Copenhagen, Denmark)   
  • Arkadiy Simonov (University of Freiburg, Germany)

This symposium celebrates the inauguration of the new SIG: Dynamics, disorder and diffuse scattering.


MS29: Accurate Treatment of Hydrogen Atoms

Chairs:

  • Horst Puschmann (OlexSys, United Kingdom)
  • Matteo Lusi (University of Limerick, Ireland)

There has recently been much improvement in the description of hydrogen atoms from X-ray data through new refinement techniques (such as Hirshfeld Atom Refinement) or new techniques such as dynamic quantum crystallography. Accurate determination of hydrogen atom parameters is of utmost importance for properties of intermolecular interactions such as interaction energies, which reflects on materials properties.


Focus Area 4 - Chemical Crystallography

MS30: Chirality and Polarity in Crystals

Chairs:

  • Dario Braga (University of Bologna, Italy)

Chiral, but sometimes also non-chiral molecular building units form chiral crystals, and non-chiral molecules regularly grow polar crystals. How can the principles of crystal engineering be applied in order to not only understand such crystals once they have been grown, but also be used for the bottom-up design of new materials with desirable properties? Reports on associated research projects may be appropriate for this MS.


MS31: Responsive Materials & Structural Dynamics in Crystal & Single-Crystal-to-Single-Crystal Transformations

Chairs:

  • Giancarlo Terraneo (Politecnico di Milano, Italy)
  • Elena Boldyreva (Novosibirsk State University, Russia)

New solid-state sensors appear at a steady pace, as do other materials that produce an observable response when exposed to specific chemical or physical stimuli. This MS is open for contributions describing experimental and theoretical investigations of such systems, with emphasis on how they can be developed, on understanding their response reactions, and on their implementation for various applications.


MS32: New Insights into Non-Covalent Bondings & Tetrel, Pnictogen, Chalcogen and Halogen Bonding

Chairs:

  • Pierangelo Metrangolo (Politecnico di Milano, Italy)
  • Tom Roseveare (University of Sheffield, United Kingdom)

Crystallographic studies constitute the most important source of information on non-covalent interactions. Contributions providing new knowledge about hydrogen bonds, halogen bonds and other types of interactions, derived from diffraction studies, calculations or statistical analysis (e.g. based on data from the CSD) should be well suited for this MS.


MS33: Molecular Sponges & Solid State Packing, Polymorph Hierarchy of Supramolecular Interactions & MOFs, COFs, HOFs: The New Frontier of Molecular Buildings

Chairs:

  • Jia Min Chin (University of Hull, Austria)
  • Tony Linden (University of Zurich, Switzerland)

This family of materials has the ability to selectively adsorb guest molecules that could be present in very small concentrations. This MS aims to give an overview of molecular sponges, discuss the principles for how they are constructed, and hypothesize about their potential applications.


MS34: Computer Simulation of Molecular Structures and Interactions

Chairs:

  • Martin Schmidt (University of Frankfurt, Germany)
  • Sally Price (University College London, United Kingdom)

All topics related to calculating the ways molecules behave, from large protein complexes down to small molecules.


MS35: From Synthon Engineering to Property Engineering

Chairs:

  • Katharina Edkins (Queen's University Belfast, United Kingdom)                
  • Christian Lehmann (Max-Planck-Institut für Kohlenforschung, Germany)

MS36: Amorphous Solids, Solid Solutions, Cocrystal Alloys and Cocrystals

Chairs:

  • Enrique Espinosa (University of Lorraine, France)
  • Fabrizia Grepioni (University of Bologna, Italy)

MS37: NMR Crystallography

Chairs:

  • Paul Hodgkinson (Durham University, United Kingdom)

NMR Crystallography was created as a new IUCr commission in 2014. This MS aims to highlight the role of NMR and other spectroscopic techniques in providing information on local structure, disorder and dynamics that complements diffraction-based methods.


  

Focus Area 5 - Experimental and Computational Techniques

MS38: New Detectors for High Energy X-Ray Applications

Chairs:

  • Ulli Pietsch (University of Siegen, Germany)
  • David Pennicard (DESY, Germany)

The use of hard x-ray requires new generation of detector  with high quatum efficiency in hard x-ray range.


MS39: Time-Resolved Diffraction and Scattering Techniques

Chairs:

  • Semen Gorfman (Tel Aviv University, Israel)
  • Michael Wulff (European Synchrotron Radiation Facility, Germany)

Investigation of dynamics of structure evolution is current apect of X-Ray crystallography using modern sources of X-Ray Radiation.


MS40: The Use of X-Rays and Neutrons for Experiments in Nanoscience

Chairs:

  • Helga Lichtenegger (BOKU, Vienna, Austria)  
  • Rainer Timm (Lund University, Sweden)

Crystallography of nanomaterials is a modern aspect of crystallographic research, many property might change changing from bulk to nanoscale.


MS41: Crystallisation for Small and Large Molecules (Challenges and Developments in Crystallisation Techniques)

Chairs:

  • Naomi E. Chayen (Imperial College London, United Kingdom)
  • May Marsh (Paul Scherrer Institut, Suisse)

Crystallization of small molecules is a key precondition of structural analysis  in chemistry and structural biology.


MS42: In Situ and In Operando Analysis of Functional Materials

Chairs:

  • Antonia Neels (Empa, Swiss Federal Laboratories for Materials Science and Technologies, Switzerland)
  • Bridget Murphy (University of Kiel, Germany)

Watching the action in functional materials becomes possible in great detail due to major advances in instrumentation (intense beams, novel detection systems, combination of analytical methods), software development and big data managment. Powder diffraction and scattering is the main tool for structural investigations under in-situ and in operando conditions in the emerging fields of chemistry, biology and physics. Functional materials of interest are magnetic systems, battery and fuel cells, solar cells, but also systems for drug release in bio-environements. Powder diffraction and scattering techniques can also combine complex sample environments (temperature, reactions, humidity, mechanical load, fluidics) with additional X-ray based techniques (i.e., fluorescence or absorption/phase contrast tomography) and complementary analytical methods (i.e., Raman or IR Spectrometry). Solid state structural transformations can be studied in great detail related to todays achevements  in spatial and time resolutions.


MS43: Total Scattering Studies and Disorder

Chairs:

  • Matteo Leoni (University of Trento, Italy)
  • Mirijam Zobel (University of Bayreuth, Germany)

This microsymposium addresses  total scattering studies utilising not only Bragg scattering from a material but also the diffuse scattering (PDF) in order to look beyond the average structure to examine the local, or short-range structure.  Particular focus will be on nanomaterials; the understanding of the local structure is crucial for the materials applications.


MS44: Solving structures through combination of reciprocal and direct space methods

Chairs

  • Amin Sadeghpour (Swiss Federal Laboratories for Materials Science, Suisse)
  • Ute Kolb (University of Mainz, Germany)

General Interest

GI-MS45: How to… Successfully Collaborate as a Crystallographer

Chairs:

  • Filip Topić (McGill University Montreal, Canada)  
  • Galina Kiriukhina (Lomonosov Moscow State University, Russia)

Speakers with experience of various crystallographic techniques talking about their collaboration with non-experts. How are collaborations initiated, what is the added value a crystallographer can bring to the table, how to communicate the relevance of crystallographic results to colleagues and collaborators. Speakers could be e.g. from small-molecule or protein crystallography community, from academia or industry.


GI-MS46: Status and New Activities @ Large Scale Facilities

Chairs:

  • Jean Susini (ESFR, France) 
  • Sandor Brockhauser (European XFEL, Germany)

Portfolio of Beamlines, Upgrades of facilities, treatment of data, instrumentation development; include EM facilities.­


GI-MS47: Women in Crystallography

Chairs:

  • Kamil Dziubek  (Lens, Italy)
  • Alessia Bacchi (University of Parma, Italy)

Following a successful debut of the "Women in Crystallography" microsymposium at the ECM31 in Oviedo, it will return at the ECM32 in Vienna. With an eye to the past, we would like to commemorate pioneering women in crystallography, true heroines of their times; with an eye to the future we will discuss changes in policies and interventions required to eliminate gender stereotypes, increase sensitivity and facilitate equal treatment of any and all (in particular women and men) in all stages of scientific career. In a nutshell, while recalling the past and discussing about the present, we venture a glimpse into the future, sharing ideas on incentives to promote gender equality and equity in access to science education, particularly in developing countries.


GI-MS48: Teaching New Dogs Old Tricks

Chairs:

  • Fernando Lahoz (University of Zaragozza, Spain)
  • Helen Stoekli-Evans (University of Neuchâtel, Switzerland)

The microsymposium will deal with the main concepts of crystallography underpinning all the tecnology which is employed  by users in their daily scientific life. It will also be an opportunity of focus on some basic concepts of crystallography sometimes forgotten, underevaluated or not completely understood.