Wednesday 01 June 2022 – Saturday 04 June 2022

The 50th Middle Atlantic Regional Meeting of the American Chemical Society will take place at The College of New Jersey, TCNJ.

This meeting includes participation from many divisions of the ACS, from computation/theoretical, to organic, natural products and medicinal chemistry!

The event has an engaging and inspirational program that will give participants opportunities for new learning and networking encounters, it will be a revolutionary experience!

CCDC are proud to be hosting three workshops which will train attendees in how they can leverage the knowledge in the Cambridge Structural Database (CSD) to support their research into solid materials.

 

CCDC workshops:

Learning from over a million structures with CSD-Materials—waving in FIMs

Date: Friday, June 3rd

The Cambridge Structural Database (CSD) contains a wealth of information that can be used to derive new knowledge. To aid your discovery our associated software enables you to extract invaluable insights from the over one million crystal structures, informing and accelerating your research and development. In this session we will introduce you to CSD-Materials which has components including sophisticated analysis and prediction of molecular geometry, intermolecular interactions, and crystal packing. You will learn more about solid state analysis and how to better understand intermolecular interactions and assess structural stability through using Full Interaction Maps and Hydrogen Bond Propensities. You will get the opportunity to use the software and hands-on exercises will be provided should you want to explore the CSD further.

 

Design and assess the stability of structures using motifs searching, packing features and packing similarity in Mercury

Date: Friday, June 3rd

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 workshop, you will learn how to search motifs, crystal packing features and crystal packing similarity using Mercury, to design and assess the stability of solid form materials.

 

Understanding how aromatic interactions impact crystal stability (using the Aromatic Analyser tool in CSD-Materials)

Date: Friday, June 3rd

The Cambridge Structural Database (CSD) contains a wealth of information that can be used to derive new knowledge. To aid your discovery our associated software enables you to extract invaluable insights from the over one million crystal structures, informing and accelerating your research and development. In this session we will introduce you to the basics of CSD-Materials and you will learn how to explore the stability of a crystal using our Aromatics Analyser feature in Mercury.

 

Learn more and register here.