Adjacent Space: Materials Design

AI for Inverse Materials Design

This project develops an AI platform that revolutionizes materials discovery by enabling inverse design - starting with desired properties and generating novel material structures to achieve them. The system employs multimodal denoising diffusion models trained on curated materials databases to explore vast chemical spaces and propose candidate materials optimized for specific applications like energy conversion and electronics. Using Imperial College London's simulation facilities and automated experimental setups, the platform integrates iterative validation workflows to rigorously test AI-generated predictions against real-world performance metrics.
Aron Walsh's Lab
Imperial College London
,
London
Lab advisor
Aron Walsh
Chair in Materials Design, Department of Materials
Founder of
Aron Walsh leads the Materials Design group at Imperial College London, focused on the design and optimisation of materials using high performance computing. His work combines computational materials chemistry, quantum mechanics, machine learning, and multi scale modeling.
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Lab fellow
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