In silico assisted rational solid form design helps to reduce experimental costs and improve material performance. Accessing and interrogating the wealth of data in the Cambridge Structural Database (CSD) is integral to this as it enables scientists to design and assess the stability of solid forms during early stages of the development process.

In this CCDC Virtual Workshop, you will learn how to search motifs, crystal packing features and crystal packing similarity using Mercury, to design and assess stability of solid form materials.

We will cover:

  • Overview of the tools available in the CSD-Materials suite, focusing on tools for:

    • data-driven solid form design.

    • solid form assessment during early stages of the development process.

  • How to use Mercury to perform:

    • Motif searching.

    • Crystal Packing Feature searches.

    • Crystal Packing Similarity searches.

This session will last 90 minutes, inclusive of time to try the hands-on part with expert tutors available to help you and answer your questions. At the end, our expert tutors will be available an extra 15 minutes, should you need to complete the exercises or ask more questions. Read more about the format of our virtual workshops here.

Requirements

  • Familiarity with visualizing structures in Mercury would be helpful. If you have not used Mercury before try our CSDU module here.

  • The CSD Software installed and an active CSD-Materials (or above*) license. (*CSD-Materials, or CSD-Enterprise. All academic licenses include the functionality we use in this workshop.) A temporary licence is available to cover the workshop, please state if you do not have a licence when registering.

 

This event will be recorded and all registered participants will have access to the recording.

Note: This session will be run identically on two dates, to cover more time zones: 10th May 2022 at 09:30 (GMT) and 12th May 2022 at 21:30 (GMT).

 

Register