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 |