Modelling and Simulation - Features & Benefits
The Daresbury Advanced Computation Service
(DAComS) employs scientific capabilities and modelling technology
to solve hitherto intractable problems.
DAComSoffers the unbeatable combination of access to
leading edge computational facilities including HPCx (one of
Europe's biggest academic computers) and benchmarking of
cost-effective and novel computing technologies.
Real problems - Real solutions. Modelling &
Simulation at Daresbury.
DAComS provides a comprehensive suite of community and
commercial science and engineering simulation codes for:
- Materials
- Life sciences
- Engineering
- Environmental modelling
Examples of solutions across this spectrum include:
Materials:
- Modelling active sites of catalysts using combined quantum and
molecular methods to design more specific, environmentally friendly
and more active systems working at lower temperatures and
pressures.
- Studying the role of defects in determining the properties of
real materials
- Understanding the atomistic origins of surface friction using
long timescale molecular dynamics simulations.
Life sciences:
- Modelling active sites of enzymes in solvents at room
temperature
- Studying systems with thousands of atoms by ab-initio quantum
'materials' methods on HPCx
- Accurate modelling of molecular interactions for crystal
structure prediction
Engineering:
- Applying Microfluidics - both gas-phase microflows and liquid
microflows in almost every discipline
- Parallelising British Aerospace's CFD code - FLITE3D resulting
in 100-fold reduction in time-to-solution
- Modelling of premixed turbulent combustion in collaboration
with Shell
Environment:
- Carrying out ab-initio lattice dynamics calculations using
CASTEP to show that the OH frequency shift through Clinochlore is
in close agreement with Raman experiments.
- Modelling airflow around complex buildings, and accurately
modelling emissions from flare stacks using large-scale
computational fluid dynamics simulations
- Making ground-breaking advances in coupled modelling linking a
high-resolution physical model with a complex ecosystem model