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About the Centre

Atomistic Simulation Centre
Who we are

The Atomistic Simulation Centre focuses on modelling and simulation of matter at the atomic scale. With atomistic simulations, our researchers lead, contribute to and assist research in Physics, Chemistry, Electronic, Chemical, Environmental Engineering and Pharmacy, collaborating with researchers at Queen’s, elsewhere in the UK and internationally. We advance the worldwide community of atomistic simulators through the development of theoretical and computational approaches and the contribution to open-source, free-available codes.

Our expertise is on electron transport in nanostructures, irradiation of materials, laser-matter interactions, rare events in molecular dynamics, supervised machine learning, functional properties of low dimensional materials.
Our work is supported by funding from the UK Research Councils, Department for Economy Northern Ireland, the European Commission as well as from other national and international sources.

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