Anna graduated from Universitat Rovira i Virgili in 2018 with a degree in Chemistry, followed by a Master’s degree in Chemical Engineering in 2021 from Universitat Politècnica de Catalunya. In 2024, she obtained her PhD in Chemistry from Swansea University and joined the Grayson group and Buchard group later that year as a research associate in computational chemistry. In her free time, Anna enjoys knitting, baking, walking, listening to and playing music, and occasionally writing fiction.

Toby is a 1st year PhD student in the ART-AI CDT. In 2021, Toby graduated from the University of Bath with an MChem degree in Chemistry. In his third year, Toby received The Oxford University Press Prize for Achievement in Chemistry for receiving the highest marks of his cohort, and in this final year Toby received The RW Bolland Prize for The Final Year Student with the Highest Marks in Master of Chemistry. Toby’s third year undergraduate project compared the performance of force fields in the conformational searching of organic molecules and this work lead to the publication of a literature review and a research paper. His master’s project focussed on the application of machine learning models to the prediction of reaction activation barriers, and Toby has also published a literature review on work in this area. Toby’s current research is focused on the interpretation of deep learning models and methods for extracting the underlying functional forms that these models have learned. In his spare time Toby writes bad C code on his 2004 Dell Inspiron.

Ferdie graduated from Imperial College London in 2021 with an MSc in Chemistry with Molecular Physics. Whilst there he completed a summer project under the supervision of Prof. Don Craig in the synthesis of novel molecules from L-leucine via 1,2,3,4-tetrahydropyridines. In his final year project under the supervision of Prof. Alexei Kornyshev, he investigated the potential use of hyperbolic metamaterials in electrochemical photonics so as to allow the multiple systems to be combined. Outside of chemistry Ferdie enjoys climbing and generally being outdoors.

James worked with Toby and Sam on a summer project with the group as an undergraduate, before graduating with a Masters in Natural Sciences from the University in Cambridge in 2022. He has since joined the Grayson group through the ART-AI CDT at Bath. Outside of work James enjoys cooking, walking dogs, running and art, and has started learning poker by playing with Elliot and Sam.

Atro is a PhD student with a particular interest in computational chemistry. Outside of chemistry, Atro enjoys running, cooking and powerlifting.

Niamh graduated from Lancaster University in 2021 with an undergraduate degree in Natural Sciences, followed by a Statistics MSc. Outside of research, she enjoys walking, reading and a bit of folk dancing.

Miles graduated from the University of Nottingham in 2021 with an MSci in Chemistry, completing his final year project exploring the structure of molecules under strong magnetic fields. During his time at Nottingham, Miles was awarded a prestigious Ficken Scholarship and Kipping Award for outstanding academic achievement, and also completed an international study year at the University of Melbourne, Australia. After graduating, Miles joined AstraZeneca as a scientist on the R&D Graduate Programme and worked on several projects including in computational organic chemistry and machine learning for drug discovery. Miles’ current research involves combining machine learning and quantum chemical methods to better understand chemical reactivity, with a particular focus on pharmaceutical applications. Outside of chemistry, Miles is a passionate advocate for education and youth development, having worked closely with youth leadership organisation One Young World and social mobility charity Career Ready during his time at Bath.