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We have 32 Chemistry (ai) PhD Projects, Programmes & Scholarships

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Chemistry (ai) PhD Projects, Programmes & Scholarships

We have 32 Chemistry (ai) PhD Projects, Programmes & Scholarships

Atomistic Simulations of Surface Chemistry underpinning the Atomic-Scale Processing of Materials for AI-driven Nanoelectronics Applications

Project description. Atomic layer deposition (ALD) and atomic layer etching (ALE) are crucial technologies in semiconductor processing, especially as nanoelectronics devices become smaller and more complex. Read more

Enabling CO2 Capture and Storage Using AI

Carbon Capture and Storage (CCS) is one of the viable solutions that can effectively reduce CO. 2.  emissions from hard to decarbonise industries (e.g., steel, cement, power generation). Read more

Photo-chemical adaptive integrated circuits for next generation neuromorphic computing

Neuromorphic computing, i.e., an approach to information processing inspired in basic morphology and working principles of the brain, is a rapidly growing area of research due to the availability of high-speed hardware and need for artificial intelligence (AI) systems across a wide range of applications. Read more

Uncertainty quantification for machine learning models of chemical reactivity

In this PhD project, we will develop and implement approaches for estimating the uncertainty in AI predictions of chemical reactivity, to help strengthen the interaction between human chemists and machine learning algorithms and to assess when AI predictions are likely to be correct and when, for example, first principles quantum chemical calculations might be helpful. Read more

Deploying safer robot chemists in real laboratory environments

Robotic chemists [1] are a totally new and disruptive development in human-centric labs, and these systems are already beginning to carry out complex experiments that require skills beyond sample transportation (e.g., sample weighing [2] and scraping samples from vials [3]. Read more

New Methods for modelling cofactor-dependent enzyme structure and function

Enzymes are Nature’s catalysts and many used cofactors and/or coenzymes to catalyse their reactions. While AI and homology methods now often allow the useful prediction of protein structure from amino acid sequence, this can be more challenging when the protein/enzyme contain cofactors. Read more

Accelerated Discovery of Next Generation Polymers Using Artificially Intelligent Reactor Platforms

  Research Group: School of Chemical and Process Engineering
The application of digital technologies is transforming the discovery and manufacturing process within materials science. This therefore represents perhaps the only opportunity to address the urgent need for new sustainable, high performing materials to facilitate more efficient processes (e.g. Read more

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