Computational science and engineering is a modern approach to research, distinct from standard theoretical and experimental approaches

In computational research, fast computers are used to simulate or model the behaviour of physical systems to better understanding properties too difficult or expensive to study via experiments. Nano- and micro-scaled systems can pose a particular challenge for conventional experiments and theory, and are a natural fit for computational study.


Due to the role of computational modelling in broader research, this project sits alongside others within our Centre. We conduct computational research from a wide variety of perspectives. Our research ranges from studying and improving the fundamental mathematical and physical models used in simulation, through to quantum and classical simulations of important materials, to models of the human heart, to virtual laboratory testing of mobile phone antennae and their interaction with human users.

Research approach and tools

We use and develop tools such as:

  • improved approaches to finite element analysis
  • ab initio approaches
  • non-linear computational electromagnetics
  • molecular dynamics
  • numerical analysis of PDEs
  • virtual laboratories
  • multi-physics simulation
  • bio-inspired optimisation algorithms.

Systems studied include:

  • properties of graphene and 2D layered systems
  • metal hydride H2 storage systems
  • computational fluid dynamics simulation of blood flow
  • computational electrophysiology
  • numerical analysis of singular and near singular integrals
  • drug delivery systems
  • mobile phone antennae
  • molecular diffusion, including anomalous diffusion
  • components for renewable energy technology eg. fuel cells.

Connect and collaborate

If you would like to work, study or collaborate with us, get in touch