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Research Computing Services

The table below give some details on the previous projects that were awarded compute resources from the EPSRC Tier2 Open-Access call. The Open-Access call includes CPU core hours, GPU card hours, and KNL node hours, and the projects below include resources on all three hardware types. 

Fourth Panel (April 2019)

Project Title

Resources

Exploring ice phase diagram using machine learning potentials 2M CPU
Development of Gaussian approximation potentials (GAPs) for accurate atomistic simulation of metallic glasses 3M CPU
Large-eddy simulations of flows over rigid canopies in different canopy flow regimes 3.05664M CPU
Hydrodynamic damping and fatigue analysis of deep-sea pipelines 2.60928M CPU
Physical determinants of liquid-liquid phase separation of protein mixtures from multiscale simulations 7.8M CPU
Passive and active control of wall-bounded turbulent flows 2.91456M CPU
CES: Correlated Equations of State 2.7M CPU
Two-Phase Coexisting Chalcogenides as Thermoelectric Materials 4.416M CPU
Charge Optimization for Small-molecule Inhibitors 9.072k GPU
Simulation of cover gas region in Sodium-cooled fast reactors using sectional modelling for aerosol dynamics 6M CPU
Generating computationally ready metal-organic frameworks and adsorption data for high-throughput and machine learning 3.49312M CPU
First-principles modelling of novel electrolytes and solid-solid interfaces for superior all solid-state batteries 4M CPU
First-principles simulations of nanocrystal early-stage growth and morphology 3.24504M CPU 25.447k GPU
Quantum spin liquids for next generation computation and storage 5.49376M CPU
Building end-to-end dialogue systems 100k GPU

Third Panel (November 2018)

Project Title

Resources

Transitional shockwave/boundary-layer interactions with confinement effects 54.72k GPU
Neural Machine Translation Research and Competitive Evaluation 91k GPU
Multi‐omics data integration for new paradigms in predictive cancer modelling 104k GPU
Benchmarking Quantum Mechanical Bespoke Protein Force Fields 45.6k GPU
Investigating the role of strong electronic correlation in the NO-binding mechanism of cytochrome c prime 3M CPU
Evolution of the excess energy in radiation damage events 2.5M CPU
Crystal structure prediction for next-generation solar absorbers 4M CPU
Exploring the shape space of elongated particles for novel liquid-crystalline behaviour 50k GPU
Compression in Distributed Machine Translation 150k GPU
Quantification of Uncertainties for Earthquake, Tsunami and Climate Models 105k GPU 40k KNL
The importance of protein disorder in the formation of liquid-drops in the genome 9.85728M CPU
Ab initio charge transport and electron‐phonon interactions in 2D materials 5.5M CPU
Efficient Architectures for Neural Machine Translation 53.84k GPU
MRTeAm (Multi-Robot Task-Allocation/Teamwork) 2.4992M CPU
Molecular level simulations of combustion systems using the DSMC method 5M CPU
Computational Exploration of Organic Molecule Reactivity and Spectra 2M CPU
Towards Optimizing Nozzle Shape for Jet Noise Reduction 3.200256M CPU
Development of plasma facing materials using machine learning 2.5M CPU 40k KNL
Room temperature 2-dimensional topological insulators 5M CPU
Advanced modelling of MHD waves and instabilities in non-uniform (non)-ideal plasmas 2.38M CPU 89.28k GPU
Binding Affinity for Charged Ligands Using Coupled Topologies 35k GPU
Project Title: Parametric decay instabilities at the 1st and 2nd harmonic upper hybrid layer in fusion plasmas 3M CPU
Data-driven prediction of rare and extreme events in turbulent reacting flows 3.072M CPU
Raman amplifcation in plasma 6.48k GPU
Investigating mechanical properties in organic molecular crystals with ab initio simulations 2.004M CPU
Large-eddy simulations of flows over elastic canopies in different canopy flow regimes 3.056M CPU
Understanding and developing a new type of phase-change memory material 5.99424M CPU
The Effect of Real Gas Dynamics on Transonic Turbine Performance 4M CPU
Unsteady Hydrodynamics of Tidal Turbines 1.2M CPU
High-level Abstractions for Performance, Portability and Continuity of Scientific Software on Exascale Computing Systems 10k GPU
Advanced Materials for Alkali-ion Batteries (AMAiB) 7.228M CPU
Numerical Study of the Vibration of Water Intake Risers Subject to Ocean Currents 2.1M CPU
Development of Computational Fluid Dynamics Methodology for Advanced Gas Reactors (AGR) Dropped Fuel 5M CPU
Machine learning potentials for metallic glasses 3M CPU
Electronic properties through grain boundaries in Fe/MgO/Fe MTJs 0.864M CPU

Second Panel (April 2018)

Project Title

Resources

Metal azolates: first steps towards ab initio metal-organic framework discovery and design 4,972,032 CPU
Targeting Alzheimer's-associated amyloid-beta using small molecules 3,400,000 CPU
Computation of droplet laden flows around complex geometries using a novel multiphysics approach 2,000,000 CPU
Updated Parameterization of Phospholipids in the GROMOS force field 2,000,000 CPU
Long timescale simulation of metallic glasses 30,000 GPU
Thermoelectric Properties of Disordered Materials 4,070,720 CPU
Modeling the laser-induced metamagnetic phase transition in FeRh 13,200 GPU
Large Eddy Simulation and Feedback Control of Wake Dynamics for Vehicle Drag Reduction 4,915,200 CPU
Loss mechanisms in aero-engine components under engine representative conditions 4,000,000 CPU
Turbulent Flow Over Complex Surfaces 2,250,000 CPU
Large Eddy Simulation of full-annular gas turbine model combustor 3,818,800 CPU
Towards 1Billion particle DEM simulations of landslide hazard impact assessment 2,000,000 CPU & 19,500 KNL & 19,500 GPU

First Panel (December 2017)

Project Title

Resources

ASCRIBE 60,000 KNL
Distributed Machine Translation 100,000 GPU
Computational DNA nanotechnology 50,000 GPU 
Ultrasound imaging for the brain 8,000,000 CPU
High-Order High-Fidelity CFD on Modern Hardware 100,000 GPU & 50,000 KNL
Next-generation Battery Materials 4,000,000 CPU
Piezoelectric transistor device simulations from first principles 2,328,000 CPU
Towards Massively Parallel Gas Turbine CFD 3,264,000 CPU & 110,592 KNL
Nano-solute-vacancy clusters in reactor pressure vessel 1,147,392 CPU & 13,248 KNL
Free Energy of G4 Quadruplex Stabilizers 100,000 GPU
Shock-wave/boundary-layer interactions with side-wall 44,000 GPU
Towards differentiation of buoyancy-driven turbulence 80,000 KNL
Uncertainty Quantification for Tsunamis 41,000 KNL & 46,000 GPU
Finite Volume Methods for Turbulent Flows 22,000 KNL