Andrew organised an stk and Python kick start for Slater group
Published:
Starting from some molecules of interest, and working in Jupyter Lab, we covered the basics of building complex cage molecules using stk.
News and workshops
Workshops run by the group
2025
2024
Andrew organised a software best practices workshop for the Pavan lab
Published:
Here we covered licenses, open-source development and the move of cpc tools to the new dynsight package, which we are working on publication of.
Andrew organised a hands-on workshop for a PhD student from UniTo
Published:
Starting from a specific structure generation problem (a combinatorial issue with functionalisation of porous materials), we worked through how to randomly generate different chemical options and generate their structures for further analysis. This work has lead to further collaboration between Andrew and the group at UniTo.
News
2025
Starting at UoB!
Published:
Andrew joined the School of Chemistry at the University of Birmingham as Assistant Professor of Computational Chemistry for Synthesis & Materials.
2023
Article by PoliFlash
Published:
Article by PoliFlash about the new researchers brought to the Politecnico di Torino as “RTD-a”s (research fellows) via a young-researchers grant in the National Recovery and Resilience Plan (PNRR), of which I am one. This funding was awarded to researchers who achieved a Seal of Excellence in the 2021 Marie Curie round. Article here ; and in Italian
2021
Article on our paper
Published:
Article on our work on wonky-cage design
DigiFab 2021 Datathon / FoNS / Imperial College London
Published:
Andrew and a team of post-graduates organised and hosted a datathon on crystal structure prediction for 70+ attendees. Story