PEOPLE

Research Summary:

See Professor Alfe's latest Research Highlights here:

Carbon nanodomes on a metal surface

My research interests are mainly focused on theoretical-computational first principles techniques applied to a variety of problems, from the study of the properties of Earth's forming materials at the extreme conditions of Earth's deep interior, to surface science problems related to catalysis and hydrogen storage. In collaboration with Prof. M. Gillan I am also interested in the development of new techniques to improve the accuracy of traditional first principles techniques.

Keywords:

Earth's Core, Metal Hydrides, Functional Oxides, Catalysis, Interfaces, Molecular Adsorption, Planetary Materials, Surfaces, Extreme Conditions, Oxide Surfaces, Free Energy, Ab Initio M.D., Petascale Computing, Quantum Monte Carlo, Functional Oxides, Extreme Conditions, Oxide Surfaces, Free Energy

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