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Postdoc in Machine Learning for Computational Wa ... (No replies)

dmwilkins
7 months ago
dmwilkins 7 months ago

The School of Mathematics and Physics at Queen’s University Belfast is seeking to appoint an exceptional candidate to the post of postdoctoral research associate in Machine Learning for Computational Water Treatment. So-called endocrine disrupting chemicals (EDCs), which bind to hormone receptors and affect the endocrine system, are an emerging problem in water treatment, with a large amount of effort expended in removing them from drinking water. However, the standard workflow in which potential materials for removing EDCs from water are screened is time- and resource-intensive. The successful candidate will use atomistic simulations with force-fields and machine learning (ML) potentials to build a database for pre-screening a material for EDC removal from drinking water. They will use this database will then be used to build ML models for use by the water industry to save months of experimental time in predicting the best direction to take to remove a particular molecule from the drinking water.

Informal enquiries may be directed to Dr David Wilkins ([email protected]).

Please visit the QUB jobs website for further details on the application procedure.




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Ab initio (from electronic structure) calculation of complex processes in materials