Wednesday 07 September 2022 – Wednesday 07 September 2022

 

CCDC virtual workshop on Wednesday 7th September, 15:00–17:00

During the virtual workshop, you will learn more about solid state analysis and how to understand intermolecular interactions better and assess structural stability. Along the way, you will learn some tips and tricks for analyzing hydrogen-bonded networks, how to describe these networks using Graph Sets, and how to analyze interactions using Full Interaction Maps, Hydrogen Bond Propensities, and Hydrogen Bond Statistics. This will be a hands-on interactive session with presentations and demonstrations. We encourage participants to bring their laptops, a temporary license for the CSD software will be provided if necessary.

 

Learning outcomes:

  • Learn how informatics and data-driven approaches can be used to understand the solid state.
  • Familiarise yourself with tools available in Mercury and the CSD-Materials suite.
  • Learn how to explore hydrogen-bonded networks and how you can use them to assess the stability of a structure.
  • How to use Full Interaction Maps to analyse a structure.

 

Duration: 2 hours

Tutors: Ilaria Gimondi and Suzanna Ward (from the Cambridge Crystallographic Data Centre (CCDC))

  

 

The best presentation for young scientists award

The CCDC is also sponsoring an award for the best presentation for young scientists (under the age of 35)

 

Learn more about this conference.