Computational Modelling Group

Gnuplot

Gnuplot is a command line plotting program to generate 2-D and 3-D plots of mathematical functions and data. Gnuplot can be used to visualise results directly on the screen or to create figures in a wide variety of output formats (from vectorial formats such as EPS, PDF, SVG to raster formats such as PNG and JPG). When launched, Gnuplot offers a prompt where commands can be entered interactively. Commands can be abbreviated, making Gnuplot a valuable tool for quick-plotting. Example. "p x" can be used as an abbreviation for "plot x" to plot the function f(x) = x. Example. "plot 'data.dat' using 1:2 with lines" can be abbreviated as "p 'data.dat' u 1:2 w l".

For queries about this topic, contact Hans Fangohr.

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Projects

A Fast Multipole Method for the Bessel potential

Marc Molinari, Simon Cox (Investigators), Neil O'Brien

The fast multipole method (FMM) proposed by Greengard and Rokhlin provides a method by which the O(N-squared) many-body problem can be reduced to O(N) complexity. In this project, a multipole method is developed to calculate the energy of a system of vortices in a high temperature superconductor, where the many-body interactions give rise to rich and complex physics. The method developed here is suitable for systems where the interactions are governed by a Bessel potential rather than the usual logarithmic potentials occurring in gravitational and electrostatic problems. We derive and apply vectorised forms of the Gegenbauer addition formulae in order to achieve the O(N) scaling associated with fast multipole methods.

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.

B-meson coupling with relativistic heavy quarks

Jonathan Flynn (Investigator), Ben Samways, Dirk Broemmel, Patrick Fritzsch

We non-perturbatively compute the coupling between B* and B pi meson states relying on relativistic heavy quarks and domain wall light fermions. The coupling is of importance for an effective description of hadronic heavy meson decays.

Control and Prediction of the Organic Solid State

Richard Boardman

This project aims to produce a computer technology for the prediction of the crystal structure(s) of an organic molecule, that could be used even prior to the synthesis of the compound.

Such a computational study could be done relatively quickly to predict the dangers and opportunities of the solid phases of a molecule under development. Our project will develop the methods of experimental screening for polymorphs and their characterisation, and hence the combination will provide a major new technology for aiding industrial formulation.

Designer 3D Magnetic Mesostructures

Hans Fangohr (Investigator), Matteo Franchin, Andreas Knittel

A new electrodeposition self-assembly method allows for the growth of well defined mesostructures. This project's aim is to use this method in order to fabricate supraconducting and ferromagnetic mesostructures. Numerical methods based on well-established models are used in order to characterise the grown structures.

Fluid Structure Interactions of Yacht Sails

Stephen Turnock (Investigator), Daniele Trimarchi

The research is the main subject of the PhD topic. It regards the application of fluid structure interaction techniques to the domain of yacht sails simulation

Fracturing of small social networks

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

A connected social network is a very important factor for the success of groups and organisations. We investigate which factors make a group more resistant to the effects of disagreements which commonly happen in small social networks.

Gravitational waves from neutron stars

Ian Hawke (Investigator)

Gravitational waves, once detected, will give information about the extremes of space and time. Compact objects such as neutron stars are perfect locations for generating such waves.

Hadronic structure on the computer

Jonathan Flynn (Investigator), Dirk Broemmel, Thomas Rae, Ben Samways

In experiments at the Large Hadron Collider (LHC) at CERN, Geneva, the interactions that occur between the colliding particles (protons in this case) can be factorised into a simple scattering between two constituent particles, called quarks, followed by a hadronisation process, which describes the dynamics of forming the bound proton states. Quarks are particles within the proton that bind to form composite particles (hadrons) such as a proton. The scattering process can be computed relatively easily, but hadronisation is intrinsically non-perturbative and hard to calculate. Lattice QCD (computer simulation of QCD on a discrete space-time lattice) provides our only known first-principles and systematically-improvable method to address problems like hadronisation. This project uses Iridis to extract parton distribution amplitudes which are experimentally inaccessible, but needed to describe the quark structure of hadrons.

Immunotherapy Research: Modelling MHC Class I Complex Assembly

Timothy Elliott, Jorn Werner (Investigators), Alistair Bailey

This project uses mathematical modelling and simulation to investigate mechanisms by which our cells process and present biological information that is used by our immune system to distinguish between healthy and diseased cells.

Kaon to two pion decays in lattice QCD

Jonathan Flynn (Investigator), Elaine Goode, Dirk Broemmel

We calculate kaon decay amplitudes on the lattice so we may compare the Standard Model to experiment.

Non-Perturbative Renormalisation on the Lattice

Jonathan Flynn (Investigator), Dirk Broemmel, Thomas Rae

In this project we compute renormalisation factors for various physical observables in a non-perturbative lattice framework. Renormalisation hereby arises due to a fundamental scale dependence of the physical processes.

Self-Force and Black Hole Inspirals

Sam Dolan (Investigator)

We use IRIDIS to compute the self-force acting on a solar-mass black hole orbiting a supermassive black hole.

Separation of timescales in models of complex networks

Seth Bullock (Investigator), Elisabeth zu-Erbach-Schoenberg, Connor McCabe

In many real-world systems several processes act on the system state. The way these processes interact can have implications for the resulting system state. We investigate how separation of the timescales of two processes influences the system's equilibrium state.

µ-VIS Computed Tomography Centre

Ian Sinclair, Richard Boardman, Dmitry Grinev, Philipp Thurner, Simon Cox, Jeremy Frey, Mark Spearing, Kenji Takeda (Investigators)

A dedicated centre for computed tomography (CT) at Southampton, providing complete support for 3D imaging science, serving Engineering, Biomedical, Environmental and Archaeological Sciences. The centre encompasses five complementary scanning systems supporting resolutions down to 200nm and imaging volumes in excess of one metre: from a matchstick to a tree trunk, from an ant's wing to a gas turbine blade.

People

Sally Brailsford
Professor, Management (FBL)
Seth Bullock
Professor, Electronics and Computer Science (FPAS)
Andrew Collins
Professor, Medicine (FM)
Simon Cox
Professor, Engineering Sciences (FEE)
Timothy Elliott
Professor, Medicine (FM)
Hans Fangohr
Professor, Engineering Sciences (FEE)
Jonathan Flynn
Professor, Physics & Astronomy (FPAS)
Jeremy Frey
Professor, Chemistry (FNES)
Ian Sinclair
Professor, Engineering Sciences (FEE)
Mark Spearing
Professor, Engineering Sciences (FEE)
Stephen Turnock
Professor, Engineering Sciences (FEE)
Jorn Werner
Reader, Biological Sciences (FNES)
Ian Hawke
Lecturer, Mathematics (FSHS)
Dina Shona Laila
Lecturer, Engineering Sciences (FEE)
Philipp Thurner
Lecturer, Engineering Sciences (FEE)
Reno Choi
Senior Research Fellow, Geography (FSHS)
Edward Richardson
Senior Research Fellow, Engineering Sciences (FEE)
Rie Sugimoto
Senior Research Fellow, Institute of Sound & Vibration Research (FEE)
Philip Williamson
Senior Research Fellow, Biological Sciences (FNES)
Richard Boardman
Research Fellow, Engineering Sciences (FEE)
Dirk Broemmel
Research Fellow, Physics & Astronomy (FPAS)
Sam Dolan
Research Fellow, Mathematics (FSHS)
Jacek Dziedzic
Research Fellow, Chemistry (FNES)
Matteo Franchin
Research Fellow, Engineering Sciences (FEE)
Dmitry Grinev
Research Fellow, Engineering Sciences (FEE)
Gunnar Mallon
Research Fellow, Geography (FSHS)
Nicolas Palopoli
Research Fellow, Biological Sciences (FNES)
Alistair Bailey
Postgraduate Research Student, Medicine (FM)
Jean Claus
Postgraduate Research Student, Engineering Sciences (FEE)
Alexandra Diem
Postgraduate Research Student, Electronics and Computer Science (FPAS)
Elaine Goode
Postgraduate Research Student, Physics & Astronomy (FPAS)
Kondwani Kanjere
Postgraduate Research Student, Engineering Sciences (FEE)
Aditya Karnik
Postgraduate Research Student, Engineering Sciences (FEE)
Andreas Knittel
Postgraduate Research Student, Engineering Sciences (FEE)
Connor McCabe
Postgraduate Research Student, Electronics and Computer Science (FPAS)
Alkin Nasuf
Postgraduate Research Student, Engineering Sciences (FEE)
Neil O'Brien
Postgraduate Research Student, Engineering Sciences (FEE)
Sanjay Pant
Postgraduate Research Student, Engineering Sciences (FEE)
Thomas Rae
Postgraduate Research Student, Physics & Astronomy (FPAS)
Alvaro Ruiz-Serrano
Postgraduate Research Student, Chemistry (FNES)
Ben Samways
Postgraduate Research Student, Physics & Astronomy (FPAS)
Daniele Trimarchi
Postgraduate Research Student, Engineering Sciences (FEE)
Valerio Vitale
Postgraduate Research Student, Electronics and Computer Science (FPAS)
Elisabeth zu-Erbach-Schoenberg
Postgraduate Research Student, Management (FBL)
Jessica Jones
Technical Staff, iSolutions
Elena Vataga
Technical Staff, iSolutions
Petrina Butler
Administrative Staff, Research and Innovation Services
Stuart Curtis
Alumnus, University of Southampton
Marc Molinari
Alumnus, Engineering Sciences (FEE)
Kenji Takeda
Alumnus, Engineering Sciences (FEE)