This lab introduces students to molecular modelling on a computer and forms part of the first year Practical Chemistry module in the undergraduate Chemistry degree programme. The lab, designed by Dr Kim Jelfs, ran 'in person' for most groups before lockdown, and remotely for one group during the summer term of 2020.

The lab consists of three workshops, in which students learn how to build 3D representations of chemical structures using specialist software and how to analyse and measure properties of molecules using these tools. The students also learn how to visualise crystal structures in other specialist software and how to data-mine reported structures for trends.

During the workshops the students work through instructions provided in a Jupyter notebook, with support from demonstrators - provided in Microsoft Teams and in a Blackboard discussion forum during remote delivery. The demonstrators provide live demos in Teams of how to carry out tasks and show students how to download and install the software on their computer.

To check their understanding of the processes, the students answer questions in a Blackboard quiz as they complete each stage. Feedback is provided and students can seek help from demonstrators for any aspects they have problems with.

Finally, a summative assessment, also in the form of a Blackboard quiz, tests how well students have mastered the techniques of molecular modelling.