Team

Over the years, I’ve had the pleasure of supervising and working with some wonderful people.

Present members

Zhuoran Yang

PhD Researcher 2024–present

Unmixing methods for X-ray diffraction data

LinkedIn

Christian Browning

PhD Researcher 2025–present

Guaranteed structure prediction with machine learning

LinkedIn

Rio McDade

PhD Researcher 2025–present

Machine learning for material performance predictions across climates

Esma Kurban

Postdoctoral Research Fellow 2025–present

AI for Materials Discovery

Part of AIchemy — AI for Chemistry Hub

LinkedIn

Past members

  • Abdulatif Cisse PhD · 2021–2026

    From human hypotheses to LLM insights: advancing Bayesian optimisation for autonomous scientific discovery

  • Stavros Gerolymatos PhD · 2021–2026

    AI-driven optimization and data exploration in crystal structure spaces and beyond

    LinkedIn
  • Dannie Ritchie PhD · 2021–2026

    Probabilistic and Geometric Optimisation for Accelerating Inorganic Materials Discovery

  • Elena Zamaraeva Postdoctoral Research Fellow · 2020–2025

    Reinforcement learning for crystal structure prediction and optimisation

    Part of Leverhulme Research Centre for Functional Materials Design

    LinkedIn
  • Giovanni de Felice PhD · 2020–2025

    Spatio-temporal machine learning under sparsity constraints

    Website
  • Marin Moran PhD · 2019–2025

    An information oriented approach to materials informatics

    LinkedIn
  • Siru Zhang PhD · 2019–2025

    An efficient and effective machine learning framework for compositional data: a study in radioisotope identification

    LinkedIn
  • Dumitru Mirauta PhD · 2019–2025

    A general approach to handling complex basis variation in unmixing problems

  • Federico Ottomano PhD · 2020–2024

    Accelerating the discovery of new transparent conducting materials using machine learning

    Website
  • Antonia Tsili PhD · 2019–2024

    Geometric optimisation of crystal structures: foundations and algorithmic approaches

    LinkedIn
  • Sam Durdy PhD · 2019–2023

    Frameworks for utilising computational knowledge: studying, harnessing and improving techniques for materials property prediction

  • Simona Capponi PhD · 2019–2023

    Optimisation strategies for the design of experiments in materials discovery

    LinkedIn
  • Duncan Adamson PhD · 2018–2021

    Algorithmic and combinatorial problems in crystal structure prediction

    Website