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University of Southampton Computational Chemistry PhD Projects, Programs & Scholarships

We have 5 University of Southampton Computational Chemistry PhD Projects, Programs & Scholarships

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We have 5 University of Southampton Computational Chemistry PhD Projects, Programs & Scholarships

Atomistic and multiscale simulations of next generation energy storage systems

Supervisory Team.   Professor Chris-Kriton Skylaris (80%) and Professor Denis Kramer (20%). Project description. Li-ion batteries have a vast range of applications from mobile phones and laptops to electric vehicles. Read more

New simulation frontiers at the intersection of catalysis and chemical separations

Supervisory Team.   Professor Chris-Kriton Skylaris. Project description. The aim of this PhD project is to develop, use and deploy software and workflow tools that will enable novel science at the interface of chemical separations and catalytic transformations. Read more

Exploring chemical space for computational materials discovery

Supervisory Team.    Prof. Graeme Day. Project description. A fully funded PhD studentship is available in the area of computational materials discovery, as part of a prestigious international Synergy grant. Read more

Machine learning methods in crystal structure prediction

Supervisory Team.    Prof. Graeme Day. This project will develop computational methods to guide the discovery of new materials, combining state-of-the-art computational methods for crystal structure prediction (CSP) with machine learning approaches for interpreting the predicted crystal structure landscapes. Read more
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