PhD Studentship: Generative AI-enabled Molecular Design for Optoelectronic Applications
This PhD studentship focuses on developing a generative AI framework that integrates machine learning and quantum chemistry simulations to design stable, synthesizable molecules with high performance for optoelectronic applications. The project addresses the challenge of balancing optical and electronic properties with practical stability and synthetic feasibility. Hosted within the interdisciplinary HetSys Centre for Doctoral Training, the research combines computational modelling, multi-objective optimisation, and multi-fidelity active learning in a collaborative, cross-disciplinary environment.