Our Team

  • Leadership Team
  • Project Team
  • Research Team
  • ECR Committee
  • Co-Investigators
Headshot of a woman. Name Chris Mellor

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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

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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

Headshot of a woman. Name Chris Mellor

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

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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

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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

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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

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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

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Dylan is a PhD student at Imperial College London co-supervised by Prof. Kim Jelfs, Dr. Alex Ganose, and Dr. Eleonora Giunchiglia. His research focuses on integrating constraints into generative models to improve the synthesisability of predictions.

Dylan John

PhD Student

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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

ECR Committee

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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, ML, 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

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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

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Tahereh 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

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Gabriella is a lecturer in Robotics and Chemistry Automation & 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

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Emma Wolpert is a Leverhulme Early Career Fellow in the Department of Chemistry at UCL. She develops coarse-grained statistical mechanical models and integrates them with machine learning to predict and design how molecular materials assemble into targeted phases.

Dr. Emma Wolpert

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Gilian is a Lecturer at the University of Leeds. Her group’s research combines high-throughput experimentation with real-time mass spectrometry to discover and optimise base-metal catalysts, uncovering mechanistic insights even at ultra-low loadings. By integrating expansive datasets with kinetic profiling, they are building predictive models to map and accelerate base metal-catalysed transformations across unexplored chemical space.

Dr. Gilian Thomas

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Sam is a Tenure-Track Research Fellow at Aston University’s Institute for Membrane Excellence, where he leads the Synthesis, Automation & Materials (SAM) Group. His research combines polymer chemistry, laboratory automation and machine learning to accelerate materials discovery, particularly for sustainable polymers and membrane technologies. He is interested in developing collaborative, self-driving laboratories for materials discovery.

Dr. Sam Parkinson

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Emma is a Chancellor’s Fellow and University Research Fellow in the School of Chemistry at the University of Edinburgh. Her research focus is on the development of new machine learning algorithms to facilitate complex target synthesis. This includes ML-guided multi-step syntheses of secondary metabolites and the democratization of mechanistically complex, substrate-specific catalytic transformations.

Dr. Emma King-Smith

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Jiyizhe is a Lecturer in Department of Chemical Engineering, University of Manchester. Her research focuses on sustainable chemical separation processes, integrating AI methods, automated experimental platforms and process modelling to accelerate from early-stage screening to process development. Application areas include critical mineral recovery, bio-downstream separations, pharmaceutical purification and so on.

Dr. Jiyizhe Zhang

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Michael is the Lecturer in Digital Chemistry for Synthesis at the University of Bristol. His research involves developing new chemical reactions using computation and machine learning to accelerate the discovery and exploration stages. He primarily focuses on synthetic methodology which uses photochemistry and organocatalysis and is interested in how digital chemistry can help in uncovering useful insights into these chemical reactions.

Dr. Michael Tilby

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Marc is an Assistant Professor at Heriot-Watt University. His research group uses automation, digital workflows, and machine learning to accelerate the discovery and structural analysis of functional molecules and materials. The group is particularly interested in the data-driven design of crystalline solids for sustainable technologies, including molecular separation and related applications.

Dr. Marc Little

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