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We have 31 Physical Chemistry (computational engineering) PhD Projects, Programmes & Scholarships

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Physical Chemistry (computational engineering) PhD Projects, Programmes & Scholarships

We have 31 Physical Chemistry (computational engineering) PhD Projects, Programmes & Scholarships

Machine learning analysis of large-scale crystal structure prediction

Supervisory Team:  Prof. Graeme Day. Project description. A fully funded 3.5-year PhD studentship is available in the area of computational materials discovery, as part of a prestigious international Synergy grant funded by the European Research Council. 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

Rational design of photo/electrocatalysts towards Green Nitrogen Fixation and Ammonia Production

In an era marked by the urgent need for sustainable solutions, this project stands at the forefront of innovation in catalysis, focusing on the rational design of photo/electrocatalysts for nitrogen fixation and ammonia production. Read more

Rational design of photo/electrocatalysts towards Green Nitrogen Fixation and Ammonia Production

In an era marked by the urgent need for sustainable solutions, this project stands at the forefront of innovation in catalysis, focusing on the rational design of photo/electrocatalysts for nitrogen fixation and ammonia production. Read more

How does the dynamic intra-membrane aggregation of phage lysis proteins kill bacterial pathogens?

This is an interdisciplinary project. It will provide a unique opportunity to obtain training in a wide range of interdisciplinary skills, including protein engineering techniques, protein purification, atomic force microscopy, neutron reflection and scattering as well as molecular dynamics simulations. Read more

Predictive molecular models of high-performance elastomers in demanding environments

High-performance elastomers enable some of the most sophisticated modern technology. They are designed to operate in the often-punishing environments such as those encountered in aerospace industries. Read more

Application of Linear-Scaling Quantum Mechanics Methods to Hydrogen Transport Through Complex Materials

Supervisory Team. Chris-Kriton Skylaris (80%) Jeremy Frey (20%). Project Description. The computational simulation of chemical reactions in materials requires an accurate, explicit description of their electrons. Read more

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