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catalysis. Computational chemistry allows the design and discovery of new molecules and theoretical understanding. This is especially important when studying the behaviour of sensitive chemicals, like
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for device functionality and reduced electrical current requirements, making them highly promising for energy efficient computing and storage technologies. This PhD project will provide novel insights
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generative AI framework that utilizes machine learning predictions and quantum chemistry simulations to design stable, synthesizable, high-performance molecules. The framework will integrate multi-objective
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of Heterogeneous Systems) at the University of Warwick is an innovative, interdisciplinary fully funded PhD programme that brings together science, engineering, and mathematics to tackle some of the most pressing
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innovative, interdisciplinary fully funded PhD programme that brings together science, engineering, and mathematics to tackle some of the most pressing challenges of our time. Big Questions, Real Impact – From
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-assisted discovery and development of semiconductor materials and devices. This exciting new field will lead to new types of quantum computers, new lasers increasing the speed of the internet, electronics