Examples of research by CSC members :
Computational work in natural sciences relies on advances in numerical mathematics, algorithms and computer science. Examples: partial differential equations (PDEs); new strategies for parallel computation; algorithmic approaches to high-performance computing
- Pattern formation and reaction-diffusion equations
- Computational PDEs: Interfaces and Free Boundaries
- Data Assimilation
- Numerical Approximation of Stochastic Differential Equations
Molecular Dynamics and Modelling
Examples: simple molecular vibrations, like bond stretching and angle bending.
- The Biological Interface with Materials
- Crystal nucleation and growth
- Simulations of peptides binding to inorganic surfaces
- Stucture and dynamics of organic semiconductors
Computational Engineering and Fluids
Computational engineering supports almost all branches of traditional engineering. Predicting what will happen, quantitatively, when fluids and gases flow, often with added complications such as: simultaneous flow of heat; mass transfer; chemical reaction; mechanical movement; stresses, etc.
Monte Carlo and Stochastic Methods
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).
Thus we study quantum effects at the microscopic and mesoscopic levels and how these manifest themselves in macroscopic behavior.
- Disordered Quantum Systems
- Structure, Dynamics and Reactivity of Transition Metal Nanoclusters
- Charge dynamics in soft materials
Computation of Living Systems
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, cells and their dynamics and culminates in the simulation of whole habitats.
A number of interesting collaborations are also developing within the framework of the Warwick-Monash Alliance
These pages are intended to facillitate the growth of such collaborations by providing a collection point for joint activities and expressions of interest.