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Research Topics 2005-08

The Centre has a broad research base and is inherently interdisciplinary in its research agenda. The following themes identify our 6 main research areas.

Molecular Dynamics and Modelling

People: Allen, Rodger, Taylor, Troisi, Walsh

In the broadest sense, molecular dynamics is concerned with particle motion which is inherent to many natural processes. Examples are simple molecular vibrations, like bond stretching and angle bending.

Monte Carlo Methods

People: Allen, Roemer, Stuart, Thönnes, Troisi

Monte Carlo methods provide approximate solutions to quantitative problems by inferring from samples produced through stochastic simulation. While the method itself is based on statistical simulation the problems solved can be both deterministic or probabilistic.

Computational PDEs

People: Barkley, Chung, Kerr, Kirkilionis , Stuart

Partial Differential Equations (PDEs) arise throughout science and engineering. In many contexts a solution is known to exist, but is not known explicitly. It is then desirable to approximate the solution numerically.

Quantum Simulations

People: Rodger, Roemer, Taylor, Troisi, Walsh

Ultimately, quantum mechanics governs how the world around us evolves. Thus we study how quantum effects at the microscopic level manifest themselves in macroscopic behavior.

Computational Fluid Dynamics

People: Arber, Chung, Barkley, Kerr

CFD is predicting what will happen, quantitatively, when fluids flow, often with the complications of, e.g., simultaneous flow of heat, mass transfer, chemical reaction (eg combustion, rusting), mechanical movement (eg of pistons, fans, rudders), stresses, etc.

Computational Systems Biology

People: Feng, Kirkilionis, Roemer

Systems biology is the study of living organisms in terms of their underlying network structure in addition to their individual molecular components. Computational approaches are particularly useful to understand complex biological systems.