The group

Team Lead

Antonia Mey

Chancellor’s Fellow, April 2021 -
Christina Miller Fellow, Jan 2020 - March 2021
A full CV is available here.

  • BSc Physics with Chemistry, Keele University
  • PhD University of Nottingham with Juan Garrahan
  • Postdoc Freie Universität Berlin with Frank Noe
  • Postdoc University of Edinburgh with Julien Michel

Team Members

Matthew Aquilina

Postdoc, started July 2023, joint project with Katherine Dunn

  • PhD in Precision Medicine, University of Edinburgh
  • MSc in Artifical Intelligence, University of Edinburgh
  • B.Eng. Electrical and Electronics Engineering, University of Malta

Jasmin Güven

PhD student, started Sep 2021

  • MPhys Physics, University of Manchester

Rohan Gorantla

PhD student, started Sep 2021, Biomedical AI CDT Exscientia funded project

  • Bachelor of Technology in Computer Science and Engineering, Shiv Nadar University

Ryan Zhu

PhD student, started Sep 2022

  • BSc in Chemistry, University of Edinburgh

Marco Mattia

PhD student, started April 2023, Sofi2 CDT

  • MPhys Physics, University of Edinburgh

Emma Tomlinson

PhD student, started September 2023

  • MPhys Physics, University of Manchester

Katerina Karoni

PhD student, started Sep 2020, MAG-MICS IBM funded project, main supervisor Ben Leimkuhler

  • MSc Computational Fluid Mechanics, National Technical University of Athens

Dominic Phillips

PhD student, started Sep 2022, Biomedical AI CDT IBM funded project, joint supervision with Ben Leimkuhler

  • MPhil Physics, University of Cambridge
  • MSc AI, University of Edinburgh

Cecilia Hong

PhD student, started Sep 2022, main supervisor Claire Hobday

  • MChem Chemistry, University of Edinburgh

Saabir Petker

PhD student, started Apr 2023, Sofi2 CDT, main supervisor Claire Hobday

  • MPhys Physics, Durham University

Esra Nur Soysal

PhD student, started Sep 2021

  • BSc in Chemistry, Bogazici University
  • MSc Chemical Research, University College London

Master, Bachelor Student and Visiting Students

Crystal Wong

  • MChem Medicinal and Biological Chemistry, University of Edinburgh, expected completion July 2024

Nicholas Runcie

  • MChem Medicinal and Biological Chemistry, University of Edinburgh, expected completion July 2024

This could be you !

Joining the group

Open Positions

Expression of interest: Please send an email to Antonia Mey.

Applications for PhD and Postdoc positions

Are you interested in working on exiting challenges around anticmicrobial resistance looking at ways to combine machine learning and molecular simulations?

Please get in touch by email to discuss different opportunities to join the group, or take a look at some of these PhD and Postdoc funding opportunities:

If you are interested in working with us as a PhD student or postdoc, please send me an email. If there is no specific opening advertise take a look at some of the following opportunities for PhD students:

And for Postdocs:

Generally if you are looking for postdoc funding, there is a great resource for fellowships/fundinding opportunities around the world: postdoc funding schemes

Undergraduate student projects

The group is happy to accommodate students from various disciplines, not just Chemistry. Ideally suited candidates are students in Chemistry, Physics, Computer Science, Biochemistry or Biotechnology, provided you have keen interest in exploring the interplay between Biology, Chemistry, and computational modelling and machine learning.

Summer student projects

Please send me an email if you are interested in doing a summer research project to discuss possible available options.

Deadlines for summer projects are usually quite early in the year (end of January). Here is a none exhaustive list of funding sources:

There are no current open positions!

Former members

Postdocs and PhD students

Rob Arbon

Jenke Scheen

Master students

Victor Principe

Matthew Bowley

Yifan Wu

Weizhi Bai

Bachelor Students

Junhao Wang

Cameron Marshall

Jonathan Alvis

Ryan Zhu


Marta Chronowska

Sarah Scripps

Li Horovitz