The Atomistic Simulation Centre (ASC) at Queen's develops and uses a range of theoretical and computational methods to study the structure and dynamics of molecules, liquids, solids and plasmas at the atomic scale. Atomistic simulation is needed to interpret experimental data and to predict new phenomena. It can reach computationally where pen and paper alone cannot. Computational experiments' provide a way forward where real experiments are not yet possible, eg under extreme conditions, or at size- and time-scales where one cannot yet look' directly.
In the ASC we study problems at the interfaces between condensed matter physics, materials science, chemistry, biology, and engineering. We are motivated by experimental science. Many of our projects are driven and informed by direct interaction with laboratory-based colleagues at Queen's and internationally. We address fundamental physical questions and use computer simulation to gain additional deeper understanding. Sometimes we are able to predict phenomena experimentally yet unobserved.
We maintain a high international profile in our research strategy and dissemination.