High Performance Computing

Interdisciplinary High Performance Computing

The University of Nottingham's doctoral training centre in Interdisciplinary High Performance Computing was established to meet the national and international need for strong physical scientists and engineers with advanced skills in the theory and application of high performance computing to applied areas, and provide a comprehensive training programme and facilitate leading-edge research in the physical, mathematical, and engineering sciences.

For 2010 we are running the following studentships:

HPC simulation of coherent structures in waveguide arrays

This is an interdisciplinary collaboration between the School of Mathematical Sciences and the School of Electrical and Electronic Engineering. The project exploits the parallel computation capability of NottinghamÆs HPC to simulate glass based waveguide arrays that currently are in the fabrication process at the University of Nottingham. The project will provide the simulation resource to explore fundamental characteristics of glass based waveguide arrays and their solitonic structures, which include mechanisms to generate discrete solitons and vortices and the possibility to manipulate them for all-optical devices.

HPC studies of antibiotic peptides

In this project, we will characterise the structure, dynamics and folding mechanisms of a series of analogues related to nisin. Nisin and other lantibiotics are good candidates for the development of novel antibiotic compounds, as they target a highly conserved chemical entity and resistance through target alteration is unlikely to develop. By exploiting significant HPC resources, we will develop new insights at unprecedented levels of spatial and temporal resolution into the structure and dynamics of a class of compounds of exceptional biomedical interest.

The 2009 studentships are described here:

Modelling Surface Tension

This is an interdisciplinary collaboration between the School of Physics and Astronomy and the department of Mechanical, Materials & Manufacturing Engineering of the Faculty of Engineering to apply supercomputer fluid dynamical simulations to model surface tension. Our team has already adapted a numerical technique developed in astrophysics and applied it to a real-world application. This project intends to study droplet formation on the end of a pipette, where the surface tension strength will control "necking" behaviour and droplet size. This is a novel and innovative approach with many potential spin-off applications such as high speed jet fragmentation as well as droplet-droplet and oil-surface interactions.

For more information, please contact Dr. Frazer Pearce

School of Physics and Astronomy
Faculty of Engineering

HPC Studies of Protein Folding and Evolution

This project will investigate protein folding and evolution using a variety of computational approaches, including molecular dynamics simulations. The project will be supervised by Professor Jonathan Hirst in Chemistry and co-supervised by Professor Juan Garrahan in Physics. The project spans Chemistry, Physics and Biology. It will provide the student with a range of experience in large scale simulations, computer programming, and multiscale modelling.

For more information, please contact Prof. Jonathan Hirst

School of Chemistry
School of Physics and Astronomy

HPC Simulation of Atom Chips: From Nanoscience to Cosmology

The project involves close collaboration of experimentalists and theorists in the Schools of Physics and Astronomy and Mathematical Sciences exploring the interface between ultracold atoms, nanoscience, and cosmology. The project will aim to make realistic three-dimensional simulations of “atom chips” that will impact in many areas of current investigation, including the exploration of fundamental questions in Nanoscience, the development of high-precision magnetic, electric, and gravitational field sensors, and the detection of Hawking radiation in atomic analogues of a black hole.

For more information please contact Prof. Mark Fromhold

School of Physics and Astronomy
School of Mathematical Sciences

Multiscale Modelling of Cell Adhesion

This project will develop efficient techniques for multiscale modelling to enable accurate renditions of complex biological processes. The project, a collaboration between the Schools of Pharmacy and Mathematical Sciences, follows from our molecular dynamics analysis of the behaviour of single molecular interactions to make developments in molecular simulation strategy, algorithm and implementation to realize quantitative estimations of important biological process such as cell adhesion.

For more information please contact Prof. Phil Williams

Laboratory of Biophysics and Surface Analysis
School of Mathematical Sciences

About iHPC

High Performance Computing underpins much research activity of the Engineering and Physical Sciences. Our HPC facility meets mid-range computing needs for hundreds of researchers across tens of Schools and, in addition, provides a nationally-leading platform for flagship, grand challenge investigations. The state-of-the-art HPC underpins our strong position in the Physical Sciences and Engineering (ranked 4th nationally in RAE2008).

Nottingham's HPC facility provides graduate students with a world-class research environment within which a rich and varied training and experience in high-end computing can be obtained. iHPC operates across both faculties of science and engineering providing considerable synergy with current activities and aims to meet the national and international need for strong physical scientists and engineers with advanced skills in the theory and application of HPC.