Computational Chemistry (decision) PhD Projects, Programmes & Scholarships

We have 2 Computational Chemistry (decision) PhD Projects, Programmes & Scholarships

Computationally driving automated functional materials discovery for net zero technologies with machine reasoning and decision-making

University of Liverpool Department of Chemistry

This project, suited to a student with a Computer Science or Mathematics background, will formally define the nature and consequences of the decisions that need to be made in the automated workflow and identify both the optimal combination of existing methods and tools to accelerate discovery and the gaps in capability that currently exist. Read more

Supervisors: Prof RIJ Ibsen-Jensen, Prof M J Rosseinsky

30 June 2024 PhD Research Project Funded PhD Project (Students Worldwide)

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Predicting drug solubility in different solvents using molecular simulation and machine learning

University of Strathclyde Department of Chemical and Process Engineering

Predicting the solubility of complex drug-like molecules is crucial at several stages of the drug discovery and manufacture. In particular, solvent selection has been highlighted as a crucial step in process design and optimisation [1]. Read more

Supervisors: Dr M Jorge, Prof C Price

Year round applications PhD Research Project Self-Funded PhD Students Only

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We have 2 Computational Chemistry (decision) PhD Projects, Programmes & Scholarships

Computational Chemistry (decision) PhD Projects, Programmes & Scholarships

We have 2 Computational Chemistry (decision) PhD Projects, Programmes & Scholarships

Computationally driving automated functional materials discovery for net zero technologies with machine reasoning and decision-making

Predicting drug solubility in different solvents using molecular simulation and machine learning

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