To mark the International Day of Women and Girls in Science, on 11 February 2026 the International Science Council (ISC), InterAcademy Partnership (IAP) and Standing Committee for Gender Equality in Science (SCGES) will host a webinar highlighting the role of women in scientific organizations, focusing on leadership, representation and strategies to advance gender equality across the global science system.

The latest Cambridge Structural Database (CSD) 6.00 release brought many improvements and innovations. During this live webinar, we will explore the new and improved features and demonstrate them in Mercury and the CSD Python API.

1. The New Data Fields for Enhanced Analysis
   Discover how new fields let you filter for data quality and enhance downstream analyses of the over 1 million structures in the CSDs. Plus, look into computed MOF propertiesâ€"pore surface area, void diameter, dimensionalityâ€"now accessible in Mercury and via the CSD Python API.

2. Advanced Disorder Modelling
   See how disorder is no longer suppressedâ€"over 165,000 structures now feature fully modelled major and minor conformations. Learn to visualize and switch these in Mercury, utilise color-coded disorder components, and programmatically access disorder via APIâ€"improving clarity and insight in your workflows.

3. CSD 6.00 Data Format Upgrade & What’s Next
   Understand how CSD 6.00’s updated data format underpins both the new metadata and disorder features, and supports future enhancements. We’ll demonstrate how the format streamlines workflows, and preview some features in future releasesâ€"like expanded disorder, publication metadata, mmCIF support, and structure optimisation tools.

Who should attend:

• Crystallographers, materials scientists, and computational chemists;

• Researchers working with crystal structures.

The Polish Academy of Sciences Crystallography Committee sets itself the goal of increasing students' motivation to acquire knowledge in the field of crystallography, which is an important element of education of graduates of natural sciences and engineering. Since 2014, the National Crystallography Olympiad has been organized cyclically under the patronage of the Committee. In 2025, the 6th edition of this competition will be held.

The official announcement of the results and award ceremony will take place on June 26, 2025, as part of the 66th Polish Crystallographic Meeting in Wrocław.

During this webinar, Panče Naumov from the New York University Abu Dhabi, will explore the latest advancements in adaptive molecular single crystals and their potential applications in soft, lightweight, and biocompatible devices. As solid-state chemists and engineers shift their focus from crystal structure to the properties and functions of organic solids, we'll discuss the importance of these materials for high-efficiency energy storage systems. The highlights include challenges in reproducibility and scalability, as well as the innovative use of machine learning to uncover structure-function relationships that impact the dynamic performance of these crystals. It's a great opportunity to learn about the future of crystal adaptronics and its promise for various technological applications!

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 Who Should Attend?

- Solid-state chemists

- Crystal EngineersÂ

- Materials Scientists

- Crystallographers

- Researchers interested in organic solids and their applications.Â

- Engineers and industry professionals focused on energy storage solutions, sensors, and flexible electronics.

Exclusive live webinar â€" we are not sharing the recording!

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Tuesday 15th April 2025

15:00 BST (London) 16:00 CEST (Berlin, Madrid, Rome) 10:00 EDT (Boston, Ontario, New York) 7:00 PT (San Diego, Vancouver, Seattle)

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In the new economy, your data is your worth.

How can leaders plan and execute a structural science data strategy to last the next 60 years?

Join our expert panel from top international data institutions, to learn how they are preparing in the face of change. From team skills and training, to technological changes, to maintaining data integrity â€" get insights to inform your proprietary data plans and policies.

Part of a series celebrating 60 years of The CCDC and the Cambridge Structural Database; the world’s largest database of small-molecule organic and metal-organic structures in the world. All are experimentally determined, fully curated, and used by thousands of scientists globally.

Join us to explore:

• How can organizations ensure resilience in their structural chemistry and biology data for the future
• How can scientific data leaders best plan for technological changes?
• How should quality and quantity be balanced in an increasingly data-hungry world?
• How can structural science data integrity be maintained as data sets become more complex?
• What skills do teams in scientific data management need to be ready for the future?
• What key data standards should be set today to ensure we’re ready for the next 60 years?

The panellists:

• Suzanna Ward, Head of Data and Community for the Cambridge Structural Database (CSD)
• Stephen Burley, Director of the RCSB Protein Data Bank (PDB)
• Tom Blanton, Executive Director of the International Centre for Diffraction Data (ICDD)
• Silke Rehme, Head of Specialist Services at Fiz Karlsruhe for the Inorganic Crystal Structure Database (ICSD)

Who should attend?

• Leaders in Science and Pharmaceutical organizations
• Chief Technical Officers
• Chief Data Officers
• Chief Scientific Officers
• Data Quality Managers
• Bioinformatics and Cheminformatics Scientists and Leaders
• AI/ML Scientists
• Data Scientists
• Drug Discovery Data Specialists

Accurately matching an experimental powder X-ray pattern to a crystal structure is essential for identifying materials, especially for polymorphs in complex landscapes. The CSD-Materials suite now includes a CSD Python API feature based on the FIDEL method, known as AutoFIDEL, which allows for matching and optimizing crystal structures against experimental powder diffraction patterns, without requiring high-resolution transmission data and with preferred orientation.
The FIDEL method can compensate for the preferred orientation frequently seen in powder data. It involves optimising the match between the experimental pattern and the simulated pattern of a selected structure, through varying the structure’s lattice parameters. It has proven effective for factors like preferred orientation and sample height displacement.Â
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During this webinar, we will show:
- What is AutoFIDEL and how to access it;
- The process of powder matching and optimization of crystal structures;
- Live demonstration of the process.
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Who should attend:
- Solid-state computational chemists
- Data scientists working with chemical data.
- Solid form scientists in academia or industry.
Cheminformaticians.

Accurately matching an experimental powder X-ray pattern to a crystal structure is essential for identifying materials, especially for polymorphs in complex landscapes. The CSD-Materials suite now includes a CSD Python API feature based on the FIDEL method, known as AutoFIDEL, which allows for matching and optimizing crystal structures against experimental powder diffraction patterns, without requiring high-resolution transmission data and with preferred orientation.

The FIDEL method can compensate for the preferred orientation frequently seen in powder data. It involves optimising the match between the experimental pattern and the simulated pattern of a selected structure, through varying the structure's lattice parameters. It has proven effective for factors like preferred orientation and sample height displacement.

During this webinar, we will show:

• What is AutoFIDEL and how to access it;

• The process of powder matching and optimization of crystal structures;

• Live demonstration of the process.

Who should attend:

• Solid-state computational chemists

• Data scientists working with chemical data.

• Solid form scientists in academia or industry.

• Cheminformaticians.

Much has been published in the scientific literature on aromaticâ€"aromatic interactions, leading many to believe there isn't more to discover. However, the rapid growth of the Cambridge Structural Database (CSD) and the Protein Data Bank (PDB) continues to create new opportunities for new insights in this area.

During this webinar, John Liebeschuetz, Computational Chemist at Astex Pharmaceuticals, will focus on the theory and practice of mining structural databases for aromaticâ€"aromatic interactions and analysing the findings. He will examine the geometric corrections needed for plotting data in reduced dimensions and how these results compare to theoretical expectations.

We will discuss important considerations when comparing search results from the CSD with theoretical models and results from the PDB. By the end of the talk, attendees should have a clear framework for understanding and appreciating the role of aromatic-aromatic interactions in both material science and life sciences.

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Who should attend:Â

• Experienced users of the CSD in academia or industry

• Computational chemistry scientists

• Materials scientists

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4.00pm (GMT), 11am (EST)

New data and software to assess and design semiconductors' optical and electronic properties are now available. This latest update is from work by the CCDC with the Universities of Strathclyde and Liverpool, to enhance the Cambridge Structural Database (CSD) for semiconductors research. They focus on crucial parameters like charge transfer integral and photoluminescence, linking them to chemical structures to design innovative semiconducting materials.

Tahereh Nematiaram, from the University of Strathclyde, will show a dataset comprising 48,182 organic semiconductors, sourced from the CSD. These semiconductors were selected through a computational funnel procedure and stability in a solid state. The dataset includes relevant electronic properties and wavefunctions for further analysis, offering a low-bias resource for exploring new applications of well-known materials. It serves as a benchmark for testing computational screenings and demonstrates the potential for repurposing established organic molecules across various research fields.
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During this webinar, you'll learn:
- How to effectively this new dataset of organic semiconductors, including electronic properties and wavefunctions, for innovative research applications.Â
- How to apply computational methods for screening and repurposing established organic molecules to facilitate advancements in various research fields.
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Who should attend:
- Solid-state computational chemists
- Data scientists working with chemical data.
- Solid form scientists in academia or industry.
- Cheminformaticians.
- Scientists working on the design of semiconductors.
- Computational Materials Scientist

Learn about primary PDB structure quality metrics, including those in the validation slider graphic; how PDB structure quality varies across the archive; and identify good structure(s) for research from RCSB.org.

Who Should Attend?
Professionals and graduate students interested in learning about strategies to take full advantage of PDB data in the fields of:
* Structural biology
* Cheminformatics and computational chemistry
* Bioinformatics and computational biology
Journal article reviewers and editors will also benefit from this webinar.
After the seminar, users will
Learn the primary PDB structure quality metrics
Understand PDB structure quality varies across the archive
Know how to identify good structure(s) for research from RCSB.org.

Participation is free, but registration is required at https://go.rutgers.edu/ikmomgei.

Join us as we demonstrate how RCSB.org serves as your gateway to structural data exploration on Tuesday April 30, 2024 from 9-10am Pacific, noon-1pm Eastern.

This event will equip you with the knowledge of how to use RCSB.org features to navigate 3D predicted protein structures in the context of experimentally-determined PDB structures.

Registration is required for the Zoom meeting information, but attendance is at no charge.
Please sign up at https://go.rutgers.edu/1ztidbcw.

Contact info@rcsb.org with any questions.

In this webinar Gilles Ouvry of NRG Therapeutics will share how the Cambridge Structural Database (CSD) can be a source of inspiration for drug design.

The majority of the focus will be around mining torsional information from the CSD on common functional groups and highlighting how it has been used in a range of drug discovery projects, creating cheat sheets for medicinal chemists using Conquest and Mercury. Other minable CSD data points will be explored, including using IsoStar to mine intermolecular interactions.

Comprehending and analysing various disorder configurations is crucial in structural analysis and informatics. This knowledge empowers researchers to make informed decisions, undertake risk assessments, and unlock new insights into the underlying structures.

 Join this webinar where we will cover topics including:

- How to improve the representation of disordered structures in Mercury and the CSD Python API

1. Analysis of disorder in the CSD and CIF files.

2. Use Mercury tools with disordered structures.

- How to use the new tools for analysis of void space

1. Use the Pore Analyser tool in Mercury to investigate void space.

2. High-throughput analysis of void space using the CSD Python API.

Who should attend:

- Crystallographers

- Students and chemistry educators wanting to learn more about disorder

- Cheminformatics/Data scientists

- Solid form scientists

- Scientists researching MOFs and porous materials

As a partner institute of the University of Cambridge, the CCDC supports graduate students with their studies and research.Â

Join our virtual Science Day - showcasing the research our current students have planned and completed. We welcome participation and questions during the day.

Anybody with an interest in upcoming research at the CCDC is welcome to join us.

When - 15:30-17:00 BST
Following on from the webinar in August we are hosting a joint interactive session to better understand your requirements and priorities for the development of more advanced searches and services across the CSD and the ICSD. The interactive event in October will be an open, guided discussion designed to collect together your use cases and requirements for a more advanced search interface across the CSD and ICSD.

Given by Dr Fabric Gorrec, LMB, Cambridge, UK

Advances in macromolecular X-ray crystallography depends upon solving structures from samples containing purified and concentrated protein, DNA, RNA, and their complexes. Novel samples are however increasingly challenging to produce and crystallize hence innovations which enhance the process of structure determination are urgently required, especially to increase the yield of quality diffraction crystals.

Experienced researchers from related fields, students and non-experts alike will find this webinar essential as it provides both theoretical and experimental evidence-based aspects of macromolecular X-ray crystallography. Delegates will leave with a better understanding about the underlying reasons why it is necessary to formulate novel crystallization screens with relatively complex conditions, such as the ones found in the MORPHEUS screens.

Join Dr Paul Fewster, former Head of Research at PANalytical and
Co-editor for IUCr Journals to find out more. This event will take place
on Tuesday, May 30, 2017 4:00 PM - 5:00 PM BST, 5:00 PM - 6:00 PM CEST,
11:00 AM - 12:00 midday EDT, 8:00 AM - 9.00 AM PDT

The theory of X-ray diffraction from crystals has been established for
over 100 years; although it is still used, it cannot account for some of
the experimental data. The theory combined with measured data can
sometimes lead to the wrong structural model. In this webinar you will
hear about a new theory that includes the diffraction from crystals in
all directions, which explains the diffraction from polycrystalline
materials and the data collected in serial crystallography without the
need for complex structural requirements.

The webinar will be followed by a Q+A session, where you can quiz Paul
directly.

Register here to reserve your place.

https://attendee.gotowebinar.com/register/4267568948471460099

If you have any questions, please contact Dr Jonathan Agbenyega,
ja@iucr.org

Faraday Discussions have a special format where research papers written by the speakers are distributed to all participants before the meeting, and most of the meeting is devoted to discussing the papers. Everyone contributes to the discussion - including presenting their own relevant research. The research papers and a record of the discussion are published in the journal Faraday Discussions.

hemes

• Electroactuators: from understanding to micro-robotics and energy conversion
  This session will deal with the conversion of the applied voltage to mechanical motion and the reverse processes of electrical energy harvesting from mechanical motion. The focus of the session will be on the search of new micro and nano structured electrodes and membrane materials for enhancement of the electroactuation effect. Applications in micro- and nano-robotics as well electrical energy generators will also be considered, particularly in view of maximizing their efficiency. In terms of systems to be considered at the session, we will focus on polymer-electrolyte composite membranes and nanostructured carbon electrodes, but the goal of the session will also be to reveal emerging systems.
• Electrotunable wetting, and micro-and nanofluidics
  This session will deal with electrical control of fluids on micro and nano scales, for instance in opto-fluidics, electroactive desalination, and liquid flow capacitors. We will also cover inverse electrowetting, in which mechanical pressure and deformation of liquid droplets generate voltage.
• Nanotribology and voltage-controlled friction
  In this session, we will discuss the possibilities of controlling friction in electroactive systems, such as interfaces with thin lubricant layers consisting of electrolyte solutions or ionic liquids.
• Electrovariable nanoplasmonic
  This session will deal with the tuning of surface plasmons in nanostructures, which can be used to electrically control optical properties. These may be used for future creation of switchable mirror-windows, or SERS based detection of hazardous molecules for security and environmental control. The main focus of the session will be on systems based on self-assembled nanoparticle arrays at liquid-liquid or liquid-solid electrochemical interfaces.