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We have 4 Computational Chemistry (human computer) PhD Projects, Programmes & Scholarships

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Computational Chemistry (human computer) PhD Projects, Programmes & Scholarships

We have 4 Computational Chemistry (human computer) PhD Projects, Programmes & Scholarships

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

Deep-learning for semantic-based information extraction from natural language

  Research Group: Computing, Informatics and Applications Research Group
Research Group. Computing, Informatics and Applications Research Group. Proposed supervisory team. Dr Arooj Fatima. Dr Cristina Luca. 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
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