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