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Postdoc in Computational Chemistry (University o ... (No replies)

PLA
1 year ago
PLA 1 year ago

Project Title

QUANTUM-TOX: Revolutionizing Computational Toxicology with Electronic Structure Descriptors and Artificial Intelligence.

Supervisor: Prof Popelier

A postdoctoral position for 3 years is available through UKRI funding underwriting a European Horizon-EIC Pathfinder Open grant. This postdoc is part of a European collaborative consortium, with a total funding of 3 million euros, aiming to make a step change. The post is tenable from 1st March 2024.

The need for fast, cheap and accurate technologies to assess toxic effects is pressing. Computational toxicology provides an array of methods for toxicity prediction only using computer approaches. However, contemporary computational toxicology has severe limitations. Predictions typically use Quantitative Structure-Activity Relationship (QSAR) models that rely on large sets of molecular descriptors. This causes severe problems since the methodologies cannot assess chemicals different to the ones used to develop the QSAR models. This project will develop a new type of descriptor, totally based on quantum mechanics, which can cover the whole chemical space and relies on a small number of parameters that are easily interpretable.

The position is open to an outstanding and ambitious computational chemist or equivalent. Based within the Department of Chemistry, you will work with Prof Popelier and his vibrant research group. The Department is ranked 3rd in Great Britain and 5th in Europe by the 2021 Nature Index.

Full details on how to apply:

https://www.jobs.manchester.ac.uk/Job/JobDetail?JobId=27631&source=JobTrainRSSFeed

Job reference (vacancy):  SAE-024219

Application deadline: 3rd January 2024




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