News
💻 First group photo with new PhD and MSci students starting in the group!
(05/10/2026)
We are very excited to welcome Thomas Greenwood, Oliver Kettlewell and Tian Wen as new PhD students, Thomas Bowling and Constance Daniels as new MSci students, and Megan Lu as a visiting researcher. Looking forward to sharing updates from all of their excellent work!
(05/10/2026)
We are very excited to welcome Thomas Greenwood, Oliver Kettlewell and Tian Wen as new PhD students, Thomas Bowling and Constance Daniels as new MSci students, and Megan Lu as a visiting researcher. Looking forward to sharing updates from all of their excellent work!
💻 trg welcomes visiting researcher
(21/09/2026)
Megan Lu (LinkedIn), an undergraduate from Dartmouth College, joins us for three months to complete a software development project to make cage modelling simpler!
(21/09/2026)
Megan Lu (LinkedIn), an undergraduate from Dartmouth College, joins us for three months to complete a software development project to make cage modelling simpler!
💻 trg welcomes first group member!
(15/07/2026)
Tisha Sivakumar, who is an undergraduate Enhancement Scholar, will work on computational modelling of host guest chemistry with us for four weeks.
(15/07/2026)
Tisha Sivakumar, who is an undergraduate Enhancement Scholar, will work on computational modelling of host guest chemistry with us for four weeks.
💻 Andrew presents at ISMSC 2026, Bordeaux
(07/07/2026)
Andrew presented the recently published unbiased structure prediction work at ISMSC 2026 in Bordeaux. It was a very hot day, and the heat wave continues through the conference, but a great day with the excellent supramolecular community.
(07/07/2026)
Andrew presented the recently published unbiased structure prediction work at ISMSC 2026 in Bordeaux. It was a very hot day, and the heat wave continues through the conference, but a great day with the excellent supramolecular community.
💻 Paper on unbiased structure prediction published in Angewandte
(01/07/2026)
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!
(01/07/2026)
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!
💻 Andrew started at UoB!
(01/08/2025)
Andrew joined the School of Chemistry at the University of Birmingham as Assistant Professor of Computational Chemistry for Synthesis & Materials.
(01/08/2025)
Andrew joined the School of Chemistry at the University of Birmingham as Assistant Professor of Computational Chemistry for Synthesis & Materials.
💻 Article by PoliFlash on "Andrew's" new position
(08/05/2023)
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.
(08/05/2023)
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.
💻 DigiFab 2021 Datathon / FoNS / Imperial College London
(05/05/2021)
Andrew and a team of post-graduates organised and hosted a datathon on crystal structure prediction for 70+ attendees (story).
(05/05/2021)
Andrew and a team of post-graduates organised and hosted a datathon on crystal structure prediction for 70+ attendees (story).