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Scientific Highlights


On these pages we present research outcomes from work carried out on HPCx in a range of scientific areas.

A full list of publications is also available.

Materials and Condensed Matter

Germanium hydrogen pairs in silicon

Magnetostructural effects in FeS troilite

TiO2 : Bulk Properties and Phonons

Methanol-water solutions

Control and Prediction of the Organic Solid State

Modelling of extended microscale crystal defects

Perfect and faulted structures

Modelling of industrial catalytic processes - From CO2 to Methanol by QM/MM Embedding


Passivated & bare gold nanoparticles in ethane

Atomic and Molecular Physics

Multi-photon and electron collisions

Atoms and Molecules in Intense Laser Fields

Ongoing Research

Theoretical Physics

Controlled Thermonuclear Fusion: Clean, Safe Energy for the Future

Life Sciences

The Quantum Mechanics of Biomolecules

Molecular Dynamics Simulation to Compute Free Energies for Real Systems

Computational Engineering


Using a deformed domain to study fluid flow

Applied Aerodynamics

Environmental Modelling

A study of Agulhas rings in a high-resolution ocean model

High-resolution coastal ocean modelling

If any users wish to contribute research highlights to this area or to correct or update any of this material, please contact us via the Help Desk.

In particular it would be very useful to know of users' own web pages and publication lists to which we can make links from these pages.

http://www.hpcx.ac.uk/highlights/index.html contact email - www@hpcx.ac.uk © UoE HPCX Ltd