Computational supramolecular chemistry group

Computational supramolecular chemistry group

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News

Article by PoliFlash

less than 1 minute read

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

Starting at UoB!

less than 1 minute read

Published:

Andrew joined the School of Chemistry at the University of Birmingham as Assistant Professor of Computational Chemistry for Synthesis & Materials.

Paper on unbiased structure prediction published

less than 1 minute read

Published:

Andrew published his work on unbiased structure prediction, where they used a series of case studies that push the boundaries of conventional cage structure prediction approaches and highlight the importance of the new method that is built into cgx. From molecular building blocks to possible cage structures!

trg welcomes first group member!

less than 1 minute read

Published:

Tisha Sivakumar, who is an undergraduate Enhancement Scholar, will work on computational modelling of host guest chemistry with us for four weeks.

news

Article by PoliFlash

less than 1 minute read

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

Starting at UoB!

less than 1 minute read

Published:

Andrew joined the School of Chemistry at the University of Birmingham as Assistant Professor of Computational Chemistry for Synthesis & Materials.

Paper on unbiased structure prediction published

less than 1 minute read

Published:

Andrew published his work on unbiased structure prediction, where they used a series of case studies that push the boundaries of conventional cage structure prediction approaches and highlight the importance of the new method that is built into cgx. From molecular building blocks to possible cage structures!

trg welcomes first group member!

less than 1 minute read

Published:

Tisha Sivakumar, who is an undergraduate Enhancement Scholar, will work on computational modelling of host guest chemistry with us for four weeks.

publications

teaching

workshops

Andrew organised a hands-on workshop for a PhD student from UniTo

less than 1 minute read

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.