Computational Modelling Group

All Projects

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Ab initio simulations of chemical reactions on platinum nanoparticles

Chris-Kriton Skylaris (Investigator), Álvaro Ruiz-Serrano, Peter Cherry

•Use first principles calculations to study the relationship between shape and size of nanoparticle and the oxygen adsorption energy.

• Investigate the effect of high oxygen coverage on the catalytic activity of the nanoparticles.

Adding social ties to the Schelling model

Seth Bullock, Sally Brailsford (Investigators), Elisabeth zu-Erbach-Schoenberg

The Schelling model is an abstract model for segregation in
a spatially arranged population. We extended the traditional model by the addition of a dynamic social network. The social network influences the spatial dynamics of agents moving on the grid by changing the agents’ evaluation of their neighbourhood. In turn, the spatial arrangement influences the change of the social network.

Advanced modelling for two-phase reacting flow

Edward Richardson (Investigator)

Engine designers want computer programs to help them invent ways to use less fuel and produce less pollution. This research aims to provide an accurate and practical model for the injection and combustion of liquid fuel blends.

Advanced simulation tools for prediction of flash-back in hydrogen-rich gas turbine combustion

Edward Richardson (Investigator), James Bailey

The project involves the numerical simulation of hydrogen-rich flows using Direct Numerical Simulation (DNS) and Large Eddy simulations. Hydrogen rich fuels offer the opportunity to reduce the carbon intensity of energy supply. Hydrogen-rich fuels and other low-carbon energy sources are expect to become increasingly important in this regard. Hydrogen is more reactive and diffusive than conventional hydrocarbon fuels requiring advanced computational methods to optimise the use of these fuels in gas turbines.

Aerofoil noise

Richard Sandberg (Investigator)

High-performance computing is used to identify noise sources on aerofoils.

Agent-Based Modelling of High Frequency Traders

Frank McGroarty, Enrico Gerding (Investigators), Alvaro Perez-Diaz

Agent-Based Modelling of High Frequency Traders

Agent-based simulations of jaguar movements through conservation corridors

Jason Noble, Patrick Doncaster (Investigators), Angela Watkins

We present an agent-based model of jaguars (Panthera onca),
scaled for fragmented habitat in Belize where proposals already exist for creating a jaguar corridor. We use a least cost approach to simulate movement paths through alternative possible landscapes.

All-Optical Phase Regeneration of Fiber Optic Communication Signals

Peter Horak (Investigator), Graham Hesketh

All-optical phase regeneration uses a process known as four-wave mixing in a nonlinear optical fiber to carefully mix light with a communication signal in such a way that it cancels transmission noise in the the signals phase, increasing the distance over which the signal can be transmitted. New regenerator designs are presented that suppress phase to amplitude noise conversion and performance is simulated using a supercomputer to assist experimental investigation.

Amorphous Computation, Random Graphs and Complex Biological Networks

Seth Bullock (Investigator)

This interdisciplinary research collaboration arose within the Simple Models of Complex Networks research cluster funded by the EPSRC through the Novel Computation Initiative. Here, leading groups from the Universities of Leeds, Sheffield, Nottingham, Southampton, Royal Holloway and King’s College and industrial partners BT are brought together for the first time to develop novel amorphous computation methods based on the theory of random graphs.

An Evolutionary Economic Approach to the Household?

Jason Hilton

The household is a fundamental societal unit. In a huge array of contexts, our understanding of social behaviour relies on an interpretation of how decision are taken at the household level.This work aims to model individual decision-making and interactions between individuals explicitly within the framework of agent-based modelling, following the work of Potts (2000). Potts describes how economic problems can better be dealt with by considering how agents with incomplete, evolving preferences in the form of decision rules interact on a network, and how they cooperate and form ties to produce combinatorial technologies. Following the work of Gary Becker, he then considers how this ostensibly economic framework might hypothetically describe partnership search and household formation and dissolution.

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