1. Research Topics The Centre has a broad research base and is inherently interdisciplinary in its research agenda. The following themes identify our 5 main research areas. Molecular Dynamics and Modelling [MDM] People: Allen, Rodger, Taylor, 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 [MCM] People: Allen, Plechac, Roemer, Stuart, Thönnes 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. A very popular Monte Carlo method is based on Markov chains and known as MCMC (Markov chain Monte Carlo). Computational PDEs [CPDE] People: Barkley, Chung, Kerr, Kirkilionis, Plechac, 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 [QS] People: Rodger, Roemer, Taylor, 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 [CFD] 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. Centre for Scientific Computing www.warwick.ac.uk/go/CSC Research Portfolio Research in the CSC focuses on 5 main themes which bring together researchers from various academic departments of the university. Two themes are oriented towards developing, analyzing and optimizing the tools of scientific computing: Monte Carlo Methods and Computational PDEs. Three themes then focus on using these tools for applications in the sciences: Molecular Dynamics and Modelling, Quantum Simulations and Computational Fluid Dynamics. Teaching Portfolio Underlying the research goals of the CSC is a graduate level educational and training program including a taught MSc in Scientific Computing, as well as research degrees at both the PhD and MSc level. The core of the taught MSc is one of two EPSRC funded national high-end computing training centres and of interest to a variety of graduate students and advanced undergraduates. Contact us: Centre for Scientific Computing, University of Warwick, Gibbet Hill Road, Coventry, CV4 7AL, UK, Phone +44 (24) 765 74111, Fax +44 (24) 765 73133 Want to know more? Email csc-director@warwick.ac.uk Scientific Visualization Quantum Simulations Fluid Dynamics Computational PDEs Molecular Dynamics Modelling Scientific Computing High-End Computing © RA Roemer 25/10/2015 Reconstructed blood vessels from a retinal image Rayleigh-Taylor unstable flow An electron at a quantum phase transition Solution of a non-linear PDE Colloidal particles in a nematic system Domain decomposition in a biological system