>_ Leadership Team
>_ Project Team
>_ Researchers
>_ ECR Committee
>_ Co-Investigators
>_ 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

Title
Gabriella Pizzuto is a lecturer in Robotics and Chemistry Automation and Royal Academy of Engineering Research Fellow at the University of Liverpool. Background in cognitive robotics, learning-based robot manipulation and applied computer vision. She is keen to collaborate on new Chemistry applications using robotics systems and learn from experts about AI for improving robotic chemists.
Dr. Gabriella Pizzuto
ECR Committee Co-Chair
>_ Hub Ambassador
>_ Project Team

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

Title
Hub Project Officer based at Imperial College. Aysel has expertise in stakeholder engagement, events, procurement, and collaborative project delivery.
Aysel Sarzosa
Hub Project Officer

Title
Hub Project Officer based at University of Liverpool. Caroline has over 14 years of expertise in project management, finance, and operational delivery.
Caroline Woods
Hub Project Officer

Title
Dan has a PhD in theoretical chemistry and experience as a software engineer at the intersection of AI and chemistry in both universities and industry. At AIchemy, he is developing software to support data management, autonomous labs and materials discovery.
Dr. Dan Davies
Senior Software Engineer
>_ Researchers

Title
Mengjia is a Research Fellow at the University of Liverpool. She is developing human-in-the-loop approaches for AI-driven automated experiments to accelerate discovery of materials and properties.
Dr. Mengjia Zhu
Research Fellow

Title
Xue works at the intersection of material science, experimental chemistry and digital chemistry. She is currently developing tailored high-throughput automation workflows to support multi-fidelity AI research for reaction mechanism identification and optimization.
Dr. Xue Fang
Postdoctoral Research Assistant

Title
Pablo Graf is a Spanish/German PhD student at Imperial College. My research focuses on reaction mechanism discovery using high throughput experimentation and Bayesian optimization
Pablo Graf
PhD Student

Title
Federico obtained a Ph.D. in Computer Science from the University of Liverpool, where he worked in the domain of AI4Science, specializing in AI-driven materials discovery. His research interests include graph neural networks and deep generative models with applications in the Chemistry domain, targeting the generation of molecules and materials. He joined the AIchemy AI for Chemistry Hub as a postdoc in Jan 2025.
Dr. Federico Ottomano
Postdoctoral Research Assistant

Title
Wojciech is a Research Associate in AI for Chemistry, focusing on multi-fidelity closed-loop Bayesian optimisation for chemical experiments. Wojciech obtained his PhD in Chemistry from the University of Warwick, where he developed and applied machine learning models for gas-surface scattering dynamics.
Dr. Wojciech Stark
Postdoctoral Research Assistant
>_ 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
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

Title
Adam is an Associate Professor in Digital Chemistry and Royal Academy of Engineering Research Fellow at the University of Leeds. His research focuses on integrating digital chemistry, machine learning, and process engineering to develop sustainable multistep continuous flow syntheses, combining autonomous reactors and optimisation algorithms to create catalytic cascades that reduce the carbon footprint of chemical manufacturing.
Dr. Adam Clayton
>_ 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