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CoSiNe incorporates research groups right across Queen's. These include the following groups:


Atomistic Simulation Centre

The Atomistic Simulation Centre is currently located in the Old Physics Building (Lanyon). This group develops and applies theoretical and computational methods for the modelling of matter at the atomic scale. Systems of interest span molecules, liquids, solids and their interfaces. This usually requires solving the classical or quantum-mechanical microscopic equations for the motion of the individual atoms. A research theme that has grown significantly over the past decade is solving the equations of motion for the electrons and nuclei.

The Centre for Theoretical Atomic, Molecular and Optical Physics is currently located in the David Bates Building in Queen's University. The research is focused around computational and theoretical physics. Key themes within this group included the development of Quantum Technologies and electron and photon interactions with atoms, ions and molecules. This also involves the development of time dependant R-matrix techniques.

Centre for the Theory and Application of Catalysis

This research group is located in the David Keir building and its research centred around Catalysis through the research programme, CASTech (Catalytic Advances through Sustainable Technologies). CenTACat incorporates inter-disciplinary research ranging from computation, synthesis and kinetic evaluation. In addition, this includes process control and process engineering, therefore creating a ‘one-stop’ capability to address challenging scientific and engineering problems.

Innovative Molecular Materials (IMM) Group

Research in the IMM group is centred on understanding, characterizing and controlling the properties of molecular materials, many of which have mesoscale (nm- mm) structure. This includes performing ab-initio electronic calculations in order to understand ultracold atoms and molecules, Bose-Einstein condensates and van der waals complexes.


Molecular Therapeutics: School of Pharmacy

The Molecular Therapeutics Research Cluster is located in Medical Biology Centre on the Lisburn Road. The inter-disciplinary research focuses on the validation of drug targets and the development of experimental therapeutic agents.  In particular, there is an emphasis on chemical target identification aimed at enabling drug-discovery programmes. Computationally, this cluster has expertise in using computational methods such as molecular docking and 3D QSAR.


The Queen's University Ionic Liquid Laboratories (QUILL)

The Queen's University Ionic Liquid Laboratories (QUILL) Research Centre is located in the David Keir Building and is an industrial consortium, with members from all sectors of the chemical industry. This prize winning centre develops fundamental and applied knowledge of ionic liquids for generic and specific applications for industry and society.

Computational Biology and Machine Learning Laboratory

This research group is located in the Centre for Cancer Research and Cell Biology and develops new methods for the statistical analysis of data. The major research focus is guided by large-scale, high-dimensional data from genomics and genetic experiments. In particular,  the group is investigating the analysis of gene expression data from microarray experiments on a pathways level and sequencing data.