Skip to main content

Atomistic Simulation Centre

We develop theory and computational methods for atomic scale modelling and simulation of hard and soft condensed matter systems of experimental and practical interest. We possess a wide range of mutually complementary theoretical and computational expertise: large-scale classical molecular dynamics; statistical mechanics; empirical and first principles electronic structure methods; quantum Monte-Carlo; classical and quantum nuclear dynamics; many body theory; measurement and decoherence; quantum transport. Moreover, we maintain core competences in high performance and parallel computing.


For full details of our research, please see our Centre's webpages.


Professor Jorge Kohanoff, Director of Research

Tel: 028 9097 3770

Fax: 028 9097 3110

David Bates Building
School of Maths and Physics
Queen's University Belfast
University Road

ASC website