>_ Leadership Team
Professor in Computational Materials Chemistry and co-Director of the Digital Molecular Design and Fabrication (DigiFAB) at Imperial College, specialising in computational approaches towards enabling functional molecular material discovery.
Prof. Kim Jelfs
Co-PI and Hub Co-Director
Title
Professor of Chemistry and Director of the Materials Innovation Factory at the University of Liverpool, specialising in the fusion of computational prediction and experiment to discover new materials.
Prof. Andy Cooper
Co-PI and Hub Co-Director
Title
Hub Co-Manager based at Imperial College. Chris has a PhD in Computational Chemistry and brings over 15 years’ experience working in research management roles within academia to the the hub.
Dr. Chris Mellor
Hub Co-Manager
Title
Hub Co-Manager based at University of Liverpool. Ben’s PhD and past research focused on the development of intelligent autonomous methodologies. He brings to the hub over 10 years of experience working in research management across both academia and industry.
Dr. Ben Alston
Hub Co-Manager
>_ Hub Ambassador
Professor of Theoretical Chemistry and Deputy Head in the Department of Chemistry. She is co-Director of I-X and co-Director of DigiFAB. Her research focuses on developing graph-based methods with applications to biomolecular, healthcare and social problems.
Prof. Sophia Yaliraki
Co-I and Hub Ambassador
>_ ECR Committee
Title
Keith is Associate Professor in Computational Materials Chemistry at UCL where he leads the Materials Design and Informatics Group. MDIG works in applied machine learning and atomistic simulation for the accelerated optimisation and discovery of new materials for green energy applications.
Dr. Keith Butler
Title
Anthony Bradley is a Lecturer (Assistant Professor) in Chemistry, Robotics, and Artificial Intelligence at the University of Liverpool. His research aims to pioneer change through advanced experimental and computational automations, key focus areas include creating high-quality datasets and developing advanced predictive models.
Dr. Anthony Bradley
Title
Tahereh Nematiaram is a Chancellor’s Fellow and Lecturer in the Department of Pure and Applied Chemistry at the University of Strathclyde. Specialising in developing innovative methods that integrate novel physical models with computational screening. Her research aims to identify advanced materials with targeted properties, determine the realistic physical limits, and drive practical design methods.
Dr. Tahereh Nematiaram
Title
John is a Lecturer in the Department of Chemistry at the University of Liverpool with expertise in synthetic organic methodology development, supramolecular chemistry, and functional materials. He is keen to develop new collaborations for large scale multidisciplinary projects applying AI and robotics to challenges in organic synthesis.
Dr. John Ward
>_ Co-Investigators
Prof. Alessandro Troisi, University of Liverpool
Dr. Alex Ganose, Imperial
Dr. Antonio del Rio Chanona, Imperial
Prof. Aron Walsh, Imperial
Dr. Becky Greenaway, Imperial
Dr. Calvin Tsay, Imperial
Dr. David Wilkins, Queen’s University Belfast
Dr. Gabriella Pizzuto, University of Liverpool
Prof. Graeme Day, Univeristy of Southampton
Prof. Igor Larossa, University of Manchester
Dr. Jarvist Frost, Imperial
Dr. John Ward, University of Liverpool
Prof. Jordi Bures, University of Manchester
Dr. Keith Butler, UCL
Prof. Martijn Zwijnenburg, UCL
Prof. Matt Rosseinsky FRS, University of Liverpool
Dr. Matthew Dyer, University of Liverpool
Prof. Mimi Hii, Imperial
Prof. Rahul Savani, University of Liverpool
Prof. Sophia Yaliraki, Imperial
Dr. Tahereh Nematiaram, University of Strathclyde
Prof. Vitaly Kurlin, University of Liverpool
Dr. Vladimir Gusev, University of Liverpool
Prof. Volker Deringer, University of Oxford
Dr. Yingzhen Li, Imperial