Projects associated with the Cardiff Centre for Computational Science and Engineering
Computing
Science
Development
and Evaluation of Java Parallel Programming Environment (Feb 99 -Dec 02)
Dr Vladimir Getov, Prof
David Walker
School of Computer Science University
of Westminster
The proposed research will
focus on evaluating Java as a language for high-performance scientific
computation. Particular emphasis will be placed on the development of the
JavaMPI programming environment. In addition several commonly used
computation-intensive kernels will be converted to JavaMPI versions for
evaluation purposes. Our goal is to perform a detailed study of various
performance-related issues of parallel Java applications. Simultaneously, a
generic performance model for Java to cover both memory hierarchies and
communication (RMI and MPI) issues will be developed. We will use the model for
performance comparisons and interpretation of the evaluation results. We will
then use our performance model to propose a performance enhancements
methodology for scientific software development in Java and performance
improvements strategies for the Java programming environment.
Digital
Libraries (Jul 99 - Oct 02)
Dr Yanyan Yang, Dr Omer Rana
Dept of Computer Science,
Cardiff University
This research project, which
began in July 1999, is investigating the use of a mobile agent technology for
providing distributed access to, and parallel processing of, a digital library
of Synthetic Aperture Radar (SAR) data.
Problem
Solving Environments (PSEs) (Mar 99 –
May 02)
Ms Yan Huang, Prof David
Walker
Dept of Computer Science,
Cardiff University
We undertake the
identification and implementation of intelligent (e.g. Neural-network or
Neural-fuzzy) resource management algorithms, capable of dealing with
load-balancing and object migration in the presence of background loads.
Realisation
of Particle-in-Cell Code using Java (Feb 01 - Mar 02)
Dr Quanming Lu, Dr Vladmir
Getov
Harrow School of Computer
Science University of Westminster
With the development of Java
technology, it has been regarded as tool for scientific computing. We will be
using a particle-in-cell code to benchmark the performance of Java.
Grid
Computing for Real Applications (Feb 01 - Mar 02)
Dr Mike Ashworth, Dr Omer
Rana
Computational Science &
Engineering CLRC Daresbury Laboratory
Dept of Computer Science,
Cardiff University
Grid and distributed
computing technologies are becoming increasingly important in a range of
activities in computational science and engineering. We propose to perform some
development tests using a real ocean model in a distributed computational
environment using Globus and JavaMPI.
Problem
Solving Environment for Scientific Computing (Mar 00 - Dec 01)
Dr Maozhen Li, Dr Omer Rana
Dept of Computer Science,
Cardiff University
A Problem Solving
Environment (PSE) is a complete, integrated computing environment for
composing, compiling, and running applications in a specific area. The main
motivation for developing PSEs is that they provide software tools and expert
assistance to the computational scientist in a user-friendly environment,
allowing more rapid prototyping of ideas and higher research productivity. By
relieving the scientist of the burdens associated with the inessential and
often arcane details of specific hardware and software systems the PSE leaves
the scientist free to concentrate on the science. We make use of new software
technologies such as CORBA/Java to construct a generic component-based problem
solving environment for scientific computing and large-scale simulations.
Digital
Libraries (Mar 00 - Dec 01)
Mr Christos
Georgousopoulous, Dr Omer Rana
Dept of Computer Science,
Cardiff University
We will be investigating the
use of Mobile Agents and Digital-Libraries. They will be developed, tested and
built on CSPACE. We will be working in collaboration with two other
Universities one in America and the other one in Italy.
Objectivity
Testing (May 01 - Dec 01)
Mr Nic Caine
Dept of Computer Science,
Cardiff University
The primary goal of this
project will be to benchmark the Objectivity database system on an E6500
Enterprise high performance-computing platform.
Service
Management in Jini Federation (Feb 99 - Dec 01)
Mr Vasil Georgiev, Dr
Vladimir Getov
Harrow School of Computer
Science University of Westminster
The project inspects
possibility for optimisation of the service management in Jini environment. It
includes studies of load balancing schemas, distribution and granularity of the
matching services. Another subject is the Lookup Service management where
distribution and priority schemes are a concern. The research methods are to be
based on abstract modelling and benchmarking.
Problem
Solving Environments (Apr 00 - Sept 01)
Mr Matthew Shields, Prof
Antonia Jones
Dept of Computer Science,
Cardiff University
We will be developing Visual
Programming Environments for Problem Solving Environments. A visual programming
tool for computational scientists consisting of legacy and modern codes encapsulated
in components for ease of use.
Combinatorics
(Apr 99 - Jan 01)
Mr S Hurley,
Dept of Computer Science,
Cardiff University
Network optimisation
Development
and Evaluation of Java Parallel Programming Environment (Mar 99 - Oct 99)
Mr Matthew Williams, Dr Omer
Rana
Dept of Computer Science,
University of Westminster
Dept of Computer Science,
Cardiff University
The proposed research will
focus on evaluating Java as a language for high performance scientific
computation. Particular emphasis will be placed on the development of the
JavaMPI programming environment. In addition several commonly used
computation-intensive kernels will be converted to JavaMPI versions for
evaluation purposes. Our goal is to perform a detailed study of various performance-related
issues of parallel Java applications.
Problem
Solving Environments (Apr 99 - )
Dr Omer Rana
Dept of Computer Science,
Cardiff University
The purpose of this project
is to create infrastructure for multi-disciplinary problem solving
environments, for various application domains, ranging from scientific
computing (molecular dynamics) to large-scale commercial applications (data
mining). Involves various technologies, primarily related to computing, such as
Java/CORBA, MPI, XML and Agent technologies.
Spectral
Theory of Partial Differential Equations (Feb 99 - Dec 99)
Mr Milan Mihajlovic, Dr
Malcolm Brown
Dept of Computer Science,
Cardiff University
Developing algorithms and
associated computer software that will compute verifiable bounds of the
eigenvalues and eigenfunctions of operators generated by partial differential
expressions.
Engineering
Disposal
of High Level Nuclear Waste (Jan 01 – Dec 03)
Mr. Troy Melhuish, Prof
Hywel Thomas
Division of Civil
Engineering, Cardiff University
An investigation into the
disposal of high level nuclear waste.
Ground
Heat Transfer (Feb 00 – Oct 03)
Dr Stephen Rees
Division of Civil
Engineering, Cardiff University
Numerical study of energy
losses from buildings.
Thermo/Hydraulic/Mechanical/Chemical
Behaviour of Partly Saturated Soil (Nov 00 - Sept 03)
Mr Chun Yean Tey, Prof Hywel
Thomas
Division of Civil
Engineering, Cardiff University
We will undertake a
finite-element analysis of the thermo/hydro/mechanical and chemical behaviour
of unsaturated soils. This involves the finite-element code NEW COMPASS,
including a full verification of the results. The code will then be used to
model a high-level nuclear waste disposal problem, simulating the results
obtained by AECL.
Thermo-Hydraulic-Mechanical
Behaviour of Unsaturated Soil (Nov 99 – Sept 02)
Mr Suresh Seetharam, Prof
Hywel Thomas
Division of Civil
Engineering, Cardiff University
We will investigate the
Thermo,Hydraulic and Mechanical behaviour of unsaturated soil
Investigation
of Unsaturated Soil Behaviour (Mar 99 - Dec 02)
Dr Peter Cleall, Prof Hywel
Thomas
Division of Civil
Engineering, Cardiff University
The purpose of this project
is to investigate the properties and behaviour of unsaturated soil.
Product
Design Software and Electronic Marketing for Local SMEs (Jan 00 – Dec 01)
Mr Ian Rowland, Prof Hywel
Thomas
Division of Civil
Engineering, Cardiff University
Verification of Compass GUI
Internet
Based Distance Learning Courses and Information Network (Mar 99 – Dec 01)
Dr Talib Mahdi, Prof Hywel
Thomas
Division of Civil
Engineering, Cardiff University
We will develop and provide
awareness raising material for access by small and medium sized enterprises
(SMEs) via the Internet; such that the University team can introduce
state-of-the-art methods and information into the local SMEs. These methods and
information will enhance these SMEs capacity to undertake the range of
activities identified. Provide access to geoenvironmental information via the
Internet. Provide access to a geoenvironmental stakeholder network currently
being developed by the Regional Centre for Contaminated Land via the Internet.
We will provide technical and networking support to local small and medium size
enterprises (SMEs) through the above mentioned aims.
Product
Design Software (Sept 00 – Dec 01)
Dr Steve Clewer, Prof Hywel
Thomas
Division of Civil
Engineering, Cardiff University
The aim of this project is
to encourage and assist small to medium sized enterprises (SME's) in industrial
South Wales to develop innovative Visual Basic software packages and to enable
them to take advantage of electronic marketing to promote these
applications.
Gas
Migration in Unsaturated Soil (Mar 00 – Dec 01)
Mr Chun Kei Li, Prof Hywel
Thomas
Division of Civil
Engineering, Cardiff University
The development and
validation of a fully-coupled finite-element model of gas and liquid flow in an
unsaturated soil.
Numerical
Modelling (Nov 00 - Dec 01)
Mr Julian Shapley, Dr M
Evans, Dr Nicola Harries, Dr Telis Dimitrakopoulos, Prof David Barrow
Division of Electronic
Engineering, Cardiff University
Information Services Cardiff
University
Using such packages as CFX,
Memcad and FlumeCAD, we will numerically model the flow of fluids through micro
channels.
Modelling
the Thermo-Hydraulic Behaviour of Unsaturated Soils (Feb 99 – Nov 01)
Mr Jim Carter, Prof Hywel
Thomas
Division of Civil
Engineering, Cardiff University
We will develop a fully
validated state-of-the-art finite-element package for modelling the
thermo/hydraulic/mechanical behaviour of unsaturated soil including
applications.
Finite
Element Solutions for Coupled Problems
(Feb 99 – Oct 01)
Mr David-Huw Owen, Dr A D
Jefferson
Division of Civil
Engineering, Cardiff University
The research is aimed at the
development of parallel preconditioned iterative solutions for the analysis of
thermo, hydro, and mechanical behaviour of unsaturated soil. Numerous parallel
preconditioners for varied symmetric and non-symmetric parallel preconditioned
gradient iterative solvers are being employed for the solution of the governing
equations for fully coupled analysis. The primary variables for these analysis
are pore water pressure, pore air pressure, temperature and displacement. The
fully developed parallel code will be applied to the simulation of
thermo-hydro-mechanical experiments, for use in the performance assessment of
deep geological repositories for the disposal of nuclear waste.
Heat
Loss from Earth-Contact Structures (Mar
99 – Feb 00)
Dr Zhengming Zhou, Dr Steve
Rees
Division of Civil
Engineering, Cardiff University
Heat (moisture) transfer for
four experimental sites where measured data was collected and numerically
modelled.
Modelling
of Transient Flow and Deformation Processes in Unsaturated Soils (Jul 99 -Oct
99)
Mr Jingran Wang, Dr A D
Jefferson
Division of Civil
Engineering, Cardiff University
Unsaturated soil is a
three-phase porous media: the mechanical behaviour of which is governed largely
by the interaction of solid skeleton with pore water and pore air. A physical
model of this interaction combined with a constitutive description allows a
dynamic finite-element analysis in the time domain to predict the response of
such soil structures subjected to earthquake loading.
Physics
Monte
Carlo Simulations of Macromolecules (Apr 01 – Sept 03)
Miss Hannah Loebl, Dr
Clarence Matthai
Dept of Physics and
Astronomy, Cardiff University
The aim of this project is
to simulate the folding behaviour of proteins using simple models. We will
start with a very simple program simulating a polymer chain with identical
monomers. Then the program will be gradually improved to be able to simulate
two types of monomer, the hydrophobic- hydrophilic interactions. Then
eventually we will model the 28 different amino acids which make up proteins,
and investigate folding within different solvent conditions and
temperatures.
Star
Formation (Oct 00 – Sept 03)
Dr Simon Goodwin, Prof Ant
Whitworth
Dept of Physics and
Astronomy, Cardiff University
Realistic N-body
hydrodynamical simulations of star formation in molecular clouds.
Molecular
Dynamics of Macromolecules (Jan 01 – Dec 02)
Mr Richard Randel, Dr
Clarence Matthai
Dept of Physics and
Astronomy, Cardiff University
The study of long chain
polymers and biological macromolecules to study the folding effects under
solvent conditions
Flows
in Active Galactic Nuclei (Apr 00 – Sept 02)
Dr Robin Williams
Dept of Physics and
Astronomy, Cardiff University
The broad emission lines
provide detailed information on the kinematics of the very central regions of
active galactic nuclei. X-ray absorption observations are rapidly improving,
and provide complementary information on gas too hot to emit UV/optical lines.
In the proposed programme, I will interpret these observations in the framework
of hydrodynamical models. The global models of the broad line region, which I
have already calculated, will be used to derive line profiles and variability
characteristics for a range of ions.
Distributed
Triana Development (May 00 - May 02)
Dr Ian Taylor, Dr B
Sathyaprakash, Dr R Philp
Dept of Physics and
Astronomy, Cardiff University
Creating a distributed
version of the Triana data analysis system for the new 'GRID' initiative.
Star
Formation in Stellar Wind Bubbles (May 99 – Feb 02)
Mr Neil Francis, Dr Anthony
Whitworth
Dept of Physics and
Astronomy, Cardiff University
Young massive stars emit
large quantities of UV radiation and drive powerful stellar winds. These
phenomena have profound effects upon the interstellar medium surrounding these
stars. Large quantities of gas may be swept up into dense shells, which might
fragment and collapse to form a new generation of stars. It is the aim of this
study to determine the mechanisms by which shells may fragment and the
properties of the stars that may form using the SPH method to simulate the flow
of self-gravitating gas.
Elliptical
Galaxy Formation (Apr 00 – Mar 02)
Dr Peter Williams, Dr
Alistair Nelson
Astronomical Institute
Tohoku University
In order to extend and
improve on the results calculated for my thesis, I will be running a parallel
treecode smooth-particle-hydrodynamic star-forming code in Fortran. The
simulations will involve the collapse of self-gravitating gas, dark matter, and
star formation, and will be aimed at studying the formation of elliptical
galaxies.
Numerical
Simulations of Star Formation (Jul 00 – Dec 01)
Mr James Hosking, Dr Anthony
Whitworth
Dept of Physics and
Astronomy, Cardiff University
To investigate the effect of
magnetic fields on star formation processes by using numerical simulations.
Nested
Simulations of Star Formation (Mar 99 – Dec 01)
Mr Spyridon Kitsionas, Dr
Anthony Whitworth
Dept of Physics and
Astronomy, Cardiff University
We are currently interested
in employing new algorithms that will allow us to increase the resolution of
the simulations in terms of increasing the number of particles. This is based
on work done previously by the Cardiff Star Formation Group: cloud-cloud
collisions that lead to dynamical fragmentation producing an ensemble of
proto-stellar discs. Given that computational resources are limited and they
always grow at a rate slower than our needs, our aim is to perform such a task
selectively, only for regions of particular interest in a coarse simulation. An
increase in particle resolution will obviously lead to higher resolution of
physical quantities as well, such as density, temperature gradient, mass and
size of fragments, velocity dispersion etc. When the new algorithms have been
successfully tested, we will run new high-resolution simulations from which we
hope to obtain the above mentioned quantities.
Star
Formation Simulation (Mar 00 – Dec 01)
Mr Seung-Hoon Cha, Dr
Anthony Whitworth
Dept of Physics and
Astronomy, Cardiff University
Investigation into the
numerical simulations of star formation
Gravitational
Waves Data Analysis: Time and Frequency Analysis (Sept 99 – Sept 01)
Dr Ramachandran
Balasubramanian, Dr B S Sathyaprakash
Dept of Physics and
Astronomy, Cardiff University
We propose to use the E6500
for testing of time frequency and algorithms to analyse data from the
Gravitational wave detectors. Such methods are expected to be very useful when
little or no information is available about the signal. The code for carrying
out this testing is already available and has been tested on other parallel
architectures such as the Beowulf cluster at UWM.
Black
Hole Dynamics (May 00 – Sept 01)
Mr Kostas Glampedakis, Dr B
Sathyaprakash
Dept of Physics and Astronomy,
Cardiff University
The computation of
gravitational waves emitted from black holes.
Gravitational
Wave Detection (Jan 00 - Sept 01)
Mr Edward Porter, Mr B S
Sathyprakash
Dept of Physics and
Astronomy, Cardiff University
To calculate the number of
theoretical waveforms needed to do an online search for a particular success
rate.
The
Chemical Evolution & Star Formation History of the Universe (Jan 00 - Sept
01)
Mr Gary Mathlin, Prof Mike
Edmunds
Dept of Physics and
Astronomy, Cardiff University
We aim to develop a
physically motivated robust model of the chemical evolution and star formation
history of the Universe which will be observationally testable with the
up-coming 8m generation of telescopes.
Star
Formation in Epidemics Galaxies I (Dec 00 – Jul 01)
Miss Carolina Calderon, Prof
Anthony Whitworth
Dept of Physics and
Astronomy, Cardiff University
Simulate galaxy formation
from giant molecular clouds.
Galaxy
Formation (Mar 99 – Apr 00)
Mr Huw Pierce, Dr Alistair
Nelson
Dept of Physics and
Astronomy, Cardiff University
A 4th year project on galaxy
formation
Use
of Genetic Algorithms in the Protein Structure Prediction Problem (Sept 99 -
Sept 00)
Mr Paul Hayman, Dr Jos
Thijssen
Dept of Physics and
Astronomy, Cardiff University
The aim of this work is to
examine the factors that affect the performance of a genetic algorithm when it
is used to search for the lowest energy conformation of a protein molecule. In
this case, the protein molecules are modelled as simple two- and three-dimensional
polymers of varying length.
Electronic
Structure Calculations for Large Systems (May 99 – May 00)
Mr Simon Benham, Prof John
Inglesfield
Dept of Physics and
Astronomy, Cardiff University
Using a finite difference
grid and embedded potentials, the electronic structure of transition metals is
calculated self-consistently. The Hamiltonian is calculated within the LDA-DFT
framework and the Hartree potential is constructed using the multi-grid method.
Our method will be applied to complicated geometries and large systems.
The
Formation of Spiral Galaxies (May 99 - Feb 00)
Dr Peter Williams, Dr
Alistair Nelson
Albert Einstein Institute
Max Planck Institute for Gravitational Physics
We intend to extend and
improve on the simulations of the formation of spiral galaxies carried out for
my PhD thesis, (Williams, UWCC PhD, 1998) to specifically look at the
importance of the dark matter fraction on the formation process.
Chemistry
Partial
Oxidation of Methane to Methanol over Ga2o3/MoO3 catalysts (Feb 00 - Oct 02)
Mr Chris Cooper, Dr David
Willock
Dept of Chemistry, Cardiff
University
Investigation into the
electronic structure and properties of Ga2O3 and MoO3 using periodic DFT
Electronic
Structure Calculations on Surfaces (Feb 99 - Oct 02)
Dr Graeme Watson, Prof John
Inglesfield
Dept of Chemistry, Cardiff
University
Dept of Physics and
Astronomy, Cardiff University
Comparison of plane wave DFT
calculations and embedded cluster approaches to the simulation of molecular
adsorption on metal surfaces.
Electronic
Structure Calculations on Surfaces (Feb 99 - Oct 02)
Dr David Willock, Prof John
Inglesfield
Dept of Chemistry, Cardiff
University
Dept of Physics and
Astronomy, Cardiff University
Comparison of plane wave DFT
calculations and embedded cluster approaches to the simulation of molecular
adsorption on metal surfaces.
Molecular
Dynamics Simulations of Adsorbates in Zeolites
(Apr 00 - Oct 01)
Mr Mark Norton, Dr Dave
Willock
Dept of Chemistry, Cardiff
University
The diffusion of chiral
molecules through an enatiomerically pure model of zeolite beta will be
simulated in an attempt to detect any enantiomeric discrimination between the
residence of opposite enantiomers of adsorbates. The simulation is carried out
at various loadings and temperatures, within the NVT ensemble. The molecular
dynamics code DLPOLY is used for the simulation