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We have 27 Computational Chemistry (process engineering) PhD Projects, Programmes & Scholarships

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Computational Chemistry (process engineering) PhD Projects, Programmes & Scholarships

We have 27 Computational Chemistry (process engineering) PhD Projects, Programmes & Scholarships

Modelling exsolution: materials design for sustainable energy

One of the primary challenges for the global community is the supply of plentiful and affordable energy, moving the world away from dependence on fossil fuels by providing green alternatives. Read more

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

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

Design and control of nanoparticle structuring and self-organisation

Nature forms many materials which possess intricate structures on length scales from nanometres to many microns, which are important in applications ranging from biological systems to porous materials for energy storage. Read more

Thermo-electric materials for tab cooling of advanced batteries

Supervisory Team.   Prof Richard Wills, Dr Iris Nandhakumar. Project description. Effective thermal management of lithium-based battery systems is important for optimising cell efficiency, reducing cell degradation and preventing catastrophic failure. Read more

CDT-QTE: Quantum Spin Dynamics and How to Make it Faster

Supervisory Team: Prof Ilya Kuprov, Dr Marina Carravetta. Project description: This project is part of the EPSRC Centre for Doctoral Training in Quantum Technology Engineering at the University of Southampton. Read more

Enabling CO2 Capture and Storage Using AI

Carbon Capture and Storage (CCS) is one of the viable solutions that can effectively reduce CO. 2.  emissions from hard to decarbonise industries (e.g., steel, cement, power generation). Read more

Molecular Simulations and Data-driven Modelling for Polymer Nanocomposite Membranes

The urgent need to mitigate climate change has led to increased focus on sustainable energy solutions. This includes the development of mixed matrix membranes (MMMs) for gas separation in net-zero applications. Read more

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