Wednesday 12 October 2022 – Wednesday 12 October 2022

 

Wednesday, October 12th @ 14:00 (BST)/ 9:00 am (ET)/ 18:30 (IST)/ 15:00 (CEST)

If you’re interested in the link between crystal structures and particles, and want to understand the mechanical and chemical properties of those particles, then this free, 90-minute, hands-on workshop is for you! 

In silico digital design methods are becoming more popular as tools to anticipate manufacturing and processing bottlenecks before they occur. Particle Informatics tools enable the wealth of data in the Cambridge Structural Database (CSD) to be used to provide insight into the surface chemistry and topology of crystal facets and to explore structural features that are important to mechanical properties.

What we’ll cover?

We’ll provide an overview of the tools available in the CSD-Particle suite, focusing on tools for particle analysis.

We’ll also have hands-on activities to teach you how to use the desktop molecular visualizer software Mercury for:

  • Identification and analysis of potential slip planes.

  • Surface analysis.

  • Calculation of Full Interaction Maps on surfaces.

The tutors hosting the event have developed these tools for particle analysis alongside experts from major pharmaceutical companies and academia. Come learn how you can best use Mercury and CSD-Particle in your workflows.

The workshop will be recorded and all registered participants will have access to the recording.

Software requirements

As this is an interactive workshop, you’ll need access to CSD-Particle.

If you are an academic and have a full CSD license, make sure to update the CSD Software as this suite was launched in the latest 2022.2 release. To update the CSD Software, open Mercury, go to Help > Check for Updates and follow the instructions on the screen.

If you do not have access to CSD-Particle, we can provide you with a temporary licence. When you register below, please check "No" to the question: "Do you or your institution have a current full CSD licence?" and we'll get you set up. 

Entry requirements

This workshop is open to everyone who wants to learn hands-on how to use the tools from the new CSD-Particle suite to visualize and analyse surface properties in the context of particles.

Familiarity with Mercury and Full Interaction Maps (FIMs) would be ideal. If you have not used Mercury or FIMs before, we would recommend the following modules from our on-demand CSDU courses:

 

Who should attend?

  • Formulation scientists

  • Research scientists concerned with particle behaviour

  • PhD and post-doc researchers interested in chemical and mechanical particle properties

  • Commercial scientists concerned with the formulation and processing of crystalline products

  • Scientists involved in manufacturing crystalline products, looking to reduce bottlenecks and predict processing issues earlier

 

If you have any questions, feel free to email: hello@ccdc.cam.ac.uk. We’re happy to help.

 

Register