Dr Joseph Gilkes

Joe Gilkes, PhD
Postdoctoral Research Fellow in Computational Chemistry | Machine Learning & Chemical Reaction Networking Specialist
University of Warwick

Joe Gilkes is a computational chemist and postdoctoral research fellow at the University of Warwick, working within the Habershon Group. His research focuses on automated, large-scale chemical reaction network exploration and long-term kinetic simulations, leveraging machine learning techniques to accelerate molecular discovery and predict chemical reaction properties.

Joe is a key contributor to Kinetica.jl, a Julia-based software package designed for automated reaction network exploration and kinetic simulation under realistic experimental conditions. His current projects include extending this platform to support reactions on metallic surfaces and integrating cutting-edge ML models to aid heterogeneous catalysis research, supported by collaborations with industry partners such as Johnson Matthey.

He completed his PhD in Theoretical Chemistry at Warwick in 2024, investigating novel methods for reaction pathfinding and machine learning accelerations. Joe holds a first-class BSc in Chemistry from the University of Warwick and has experience in computational modelling, cheminformatics, and software development.

Beyond research, Joe has contributed to scientific community outreach through roles like Publicity Officer for Warwick ChemSoc, blending his scientific expertise with communication and graphic design skills.