University of Nottingham Computational Chemistry PhD Research Projects PhD Projects, Programmes & Scholarships

We have 1 University of Nottingham Computational Chemistry PhD Research Projects PhD Projects, Programmes & Scholarships

Uncertainty quantification for machine learning models of chemical reactivity

University of Nottingham School of Chemistry

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

Supervisors: Prof J D Hirst, Dr S Preston

12 May 2024 PhD Research Project Funded PhD Project (UK Students Only)

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We have 1 University of Nottingham Computational Chemistry PhD Research Projects PhD Projects, Programmes & Scholarships

University of Nottingham Computational Chemistry PhD Research Projects PhD Projects, Programmes & Scholarships

We have 1 University of Nottingham Computational Chemistry PhD Research Projects PhD Projects, Programmes & Scholarships

University of Nottingham

Uncertainty quantification for machine learning models of chemical reactivity

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