The Centre has a broad research base and is inherently interdisciplinary in its research agenda. The following themes identify our 6 main research areas.
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People: Barkley, Chen, Chung, Elliott, Jarvis, Kerr,
Stuart
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Computational work in the natural sciences relies on advances in numerical mathematics, algorithms and computer science. Examples of such "fundamental" research are partial differential equations (PDEs), new strategies for parallel computation, algorithmic approaches to high-performance computing and many more which arise throughout science and engineering.
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People: Notman, Quigley, Rodger, Troisi, Walsh
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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.
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People: Arber, Chen, Chung, Barkley, Kerr
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Computational engineering nowadays supports almost all branches of traditional engineering. For example, predicting what will happen, quantitatively, when fluids and gases 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.
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People: Quigley, Roemer, Stuart, Thalassinos, Thönnes
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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.
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People: Rodger, Roemer, Taylor, Troisi, Walsh
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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.
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People: Elliott, Feng, Kirkilionis, Roemer, Thalassinos, Thönnes
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Biology as a quantitative science is more and more relying on large-scale computational approaches to understand the complex behaviour of living systems. This starts with investigations at the molecular level, continues to models of proteins, bio-polymers and their dynamics and culminates in the simulation of whole habitats.
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