- 1st ARCHER2 eCSE call (eCSE01)
- 2nd ARCHER2 eCSE call (eCSE02)
- 3rd ARCHER2 eCSE call (eCSE03)
- 4th ARCHER2 eCSE call (eCSE04)
- 5th ARCHER2 eCSE call (eCSE05)
- 6th ARCHER2 eCSE call (eCSE06)
- 7th ARCHER2 eCSE call (eCSE07)
- 8th ARCHER2 eCSE call (eCSE08)
- 9th ARCHER2 eCSE call (eCSE09)
- 10th ARCHER2 eCSE call (eCSE10)
- 11th ARCHER2 eCSE call (eCSE11)
1st ARCHER2 eCSE call (eCSE01)
Panel meeting 19 August 2020 (virtual meeting)
Panel Members
- Walter Lioen [Chair] (SURFsara)
- Ash Vadgama (AWE)
- Charles Laughton (University of Nottingham)
- Chris-Kriton Skylaris (University of Southampton)
- Stewart Cant (University of Cambridge)
- Joanna Leng (University of Leeds)
- Alison Kennedy (Hartree/STFC)
- Sergio Campobasso (Lancaster University)
- James Grant (University of Bath)
- Nicholas Hine (University of Warwick)
- Ania Brown (University of Oxford)
- Jimena Gorfinkiel (Open University)
eCSE Team
- Chris Johnson
- Lorna Smith
- Xu Guo
- Catherine Inglis
ARCHER2 Service Representatives
- Harvey Richardson (HPE Cray)
- William Lucas (EPCC)
- Mark Bull (EPCC)
UKRI
- Kieran Jarrett (EPSRC)
Projects funded from the 1st eCSE call
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ARCHER2-eCSE01-6 PI: Dr Sylvain Laizet (Imperial College) High fidelity simulations of moving objects in a turbulent flow using a Cartesian mesh (12 months) [UKTC]
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ARCHER2-eCSE01-9 PI: Prof Matt Probert (University of York) CASTEP solvation forces (6 months) [UKCP]
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ARCHER2-eCSE01-11 PI: Dr Andrew Brown (Queen’s University Belfast) Multi-Layered MPI parallelisation for the R-matrix with time-dependence code (8 months) [UKAMOR]
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ARCHER2-eCSE01-12 PI: Dr Lee Margetts (University of Manchester) ParaGEMS: Integrating discrete exterior calculus (DEC) into ParaFEM for geometric analysis of solid mechanics (9 months)
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ARCHER2-eCSE01-13 PI: Dr Michail Stamatakis (University College London) Zacros Software Package Development: Towards Petascale Kinetic Monte Carlo Simulations with the Time-Warp Algorithm (12 months)
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ARCHER2-eCSE01-14 PI: Dr Tom Goffrey (University of Warwick) Performance Improvements and New Features for the Plasma Physics Code EPOCH (12 months) [Plasma HEC Consortium]
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ARCHER2-eCSE01-16 PI: Dr Reinhard Maurer (University of Warwick) Achieving the sustainability and scalability of numeric-atomic-orbital-based linear response and electron-phonon functionality in FHI-aims (12 months) [MCC]
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ARCHER2-eCSE01-19 PI: Prof Steve Parker (University of Bath) Improving the performance of DL_MONTE for large-scale simulations (12 months) [MCC]
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ARCHER2-eCSE01-20 PI: Dr David A Ham (Imperial College) Scalable I/O and checkpointing for Firedrake (10 months)
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ARCHER2-eCSE01-21 PI: Dr Steven A Niederer (King’s College London) Scaling 4 Chamber Cardiac Electrophysiology-Mechanics-Hemodynamics Models for Patient Specific Procedure Guidance and Digital Twins (6 months)
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ARCHER2-eCSE01-22 PI: Dr Alex S Skillen (Science and Technology Facilities Council) A Partitioned Fluid-Structure Interaction Framework for Exascale (9 months) [UKTC]
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ARCHER2-eCSE01-26 PI: Dr Davide Marenduzzo (University of Edinburgh) Ludwig on Archer2: task-based execution (12 months)
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ARCHER2-eCSE01-28 PI: Dr Alistair Revell (University of Manchester) Multi-Resolution Coupling for Exascale Engineering (12 months) [UKCOMES]
2nd ARCHER2 eCSE call (eCSE02)
Panel meeting 24 November 2020 (virtual meeting)
Panel Members
- Walter Lioen [Chair] (SURFsara)
- Ash Vadgama (AWE)
- Alison Kennedy (Hartree/STFC)
- James Grant (University of Bath)
- Nicholas Hine (University of Warwick)
- Ania Brown (University of Oxford)
- Rosalyn Hatcher (National Centre for Atmospheric Science, University of Reading)
- Helen Chappell (University of Leeds)
eCSE Team
- Chris Johnson
- Lorna Smith
- Catherine Inglis
ARCHER2 Service Representatives
- David Henty (EPCC)
UKRI
- Rebecca How (EPSRC)
- Frances Collingborn (NERC)
Early Career Observers
- Marina strocchi (King’s College London)
- Pieter Boom (University of Manchester)
- Laura Ratcliff (Imperial College London)
- Evgenij Belikov (University of Edinburgh)
- Laia Delgado Callico (King’s College London)
Projects funded from the 2nd eCSE call
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ARCHER2-eCSE02-2 PI: Dr Nathan L Abraham (Centre for Atmospheric Science) Reducing UM-UKCA data output using flight-track simulation (12 months) [NCAS]
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ARCHER2-eCSE02-3 PI: Dr Xuerui Mao (University of Nottingham) Parallel computing of flexible structures in fluid flow based on OpenFOAM (12 months) [UKTC]
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ARCHER2-eCSE02-4 PI: Dr James R Kermode (University of Warwick) Support for advanced transition state search techniques in CASTEP (3 months)
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ARCHER2-eCSE02-6 PI: Dr Emma JD Boland (British Antarctic Survey) Optimising MITgcm on ARCHER2: efficient numerical simulation and data assimilation tools for studying the ocean, atmosphere, and cryosphere. (4 months)
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ARCHER2-eCSE02-11 PI: Dr Joseph Parker (United Kingdom Atomic Energy Authority) Optimizing BOUT++ MPI+OpenMP hybrid performance by refactoring compute kernels (6 months) [Plasma HEC Consortium]
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ARCHER2-eCSE02-12 PI: Prof Nicolae C. Panoiu (University College London) Massively parallel and scalable electromagnetic solver for fast analysis of non-linear optical processes in large clusters of nano-particles (12 months)
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ARCHER2-eCSE02-13 PI: Dr James Harle (National Oceanography Centre) Containerisation of NEMO Employing Singularity (CONES) (4 months) [NOC]
3rd ARCHER2 eCSE call (eCSE03)
Panel meeting 8 April 2021 (virtual meeting)
Panel Members
- Walter Lioen [Chair] (SURFsara)
- Ania Brown (University of Southampton)
- Ash Vadgama (AWE)
- Helen Chappell (University of Leeds)
- James Grant (AWS)
- Jimena Gorfinkiel (Open University)
- Joanna Leng (University of Leeds)
- Jonathan Flynn (University of Southampton)
- Rosalyn Hatcher (National Centre for Atmospheric Science, University of Reading)
- Rupert Ford (STFC)
- Sergio Campobasso (Lancaster University)
eCSE Team
- Chris Johnson
- Lorna Smith
- Catherine Inglis
- Xu Guo
ARCHER2 Service Representatives
- Kevin Stratford (EPCC)
- William Lucas (EPCC)
- Harvey Richardson (Cray HPE)
UKRI
- Rebecca How (EPSRC)
- Frances Collingborn (NERC)
Projects funded from the 3rd eCSE call
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ARCHER2-eCSE03-2 PI: Dr Sylvain Laizet (Imperial College London) Developing in-situ analysis capabilities for pre-Exascale simulations with Xcompact3D (6 months) [UKTC]
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ARCHER2-eCSE03-4 PI: Prof Matthew Piggott (Imperial College London) Goal-oriented mesh adaptation for Firedrake (12 months) [UKCP]
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ARCHER2-eCSE03-5 PI: Dr Nicholas D M Hine (University of Warwick) Unleashing the Potential for Superior Parallel Performance of the ONETEP Linear-Scaling Density Functional Theory Package on ARCHER2 (6 months)
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ARCHER2-eCSE03-6 PI: Dr Ioana Colfescu (National Centre for Atmospheric Science) Porting, Testing, Optimising, and Configuring the Community Earth System Model (CESM2) on ARCHER2 (8 months) [NCAS]
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ARCHER2-eCSE03-10 PI: Dr Andrew Logsdail (Cardiff University) Realising a modular data interface to couple quantum mechanical calculators with external data-driven workflows (9 months) [MCC]
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ARCHER2-eCSE03-12 PI: Dr Grenville GMS Lister (NCAS-CMS, University of Reading) MONC performance portability (8 months) [NCAS]
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ARCHER2-eCSE03-14 PI: Dr Rupert Nash (EPCC, The University of Edinburgh) Enhanced Realism and Scalability for Erythrocyte modelling with HemeLB (ERaSEM-HemeLB) (12 months) [UKCOMES]
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ARCHER2-eCSE03-15 PI: Dr Phil Hasnip (University of York) Future-proof parallelism in CASTEP (12 months) [UKCP]
4th ARCHER2 eCSE call (eCSE04)
Panel meeting 29 June 2021 (virtual meeting)
Panel Members
- Walter Lioen [Chair] (SURF)
- Catherine O’Sullivan (Imperial College London)
- Charles Laughton (University of Nottingham)
- Ania Brown (University of Southampton)
- Jimena Gorfinkiel (Open University)
- Stewart Cant (University of Cambridge)
- N. Luke Abraham (NCAS, University of Cambridge)
- Grenville Lister (NCAS, University of Reading)
eCSE Team
- Chris Johnson
- Lorna Smith
- Xu Guo
ARCHER2 Service Representatives
- Harvey Richardson (HPE Cray)
- William Lucas (EPCC)
- Kevin Stratford (EPCC)
UKRI
- Billy McGregor (EPSRC)
- Frances Collingborn (NERC)
Projects funded from the 4th eCSE call
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ARCHER2-eCSE04-1 PI: Dr. Michele Sergio Campobasso (Lancaster University) Green multi-rotor systems: a pre-exascale multi-code framework for rotor-resolved analysis and design of floating wind farm and multi-propeller electrical aircraft propulsion (10 months)
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ARCHER2-eCSE04-2 PI: Dr Tobias Weinzierl (University of Durham) Upscaling ExaHyPE (11 months)
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ARCHER2-eCSE04-3 PI: Dr Reinhard Maurer (University of Warwick) Relativistic all-electron orbital-constrained Density Functional Theory to simulate x-ray photoemission and absorption spectroscopy (11 months) [MCC]
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ARCHER2-eCSE04-5 PI: Dr David A Ham (Imperial College London) Scalable and robust Firedrake deployment on ARCHER2 and beyond (6 months)
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ARCHER2-eCSE04-6 PI: Mr Jerry Blackford (Plymouth Marine Laboratory) Optimising NEMO-ERSEM for High Resolution (8 months)
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ARCHER2-eCSE04-7 PI: Prof Simon Tett (University of Edinburgh) Porting OptClim Optimisation system to ARCHER2 (5 months)
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ARCHER2-eCSE04-8 PI: Dr William J Brown (British Geological Survey) Enabling a better global view of the magnetic field of Earth’s rocks (9 months)
5th ARCHER2 eCSE call (eCSE05)
Panel meeting 23 November 2021 (virtual meeting)
Panel Members
- Walter Lioen [Chair] (SURF)
- Charles Laughton (University of Nottingham)
- Jonathan Flynn (University of Southampton)
- Nicholas Hine (University of Warwick)
- Sergio Campobasso (Lancaster University)
- Rupert Ford (STFC)
eCSE Team
- Chris Johnson
- Lorna Smith
- Xu Guo
- Catherine Inglis
ARCHER2 Service Representatives
- William Lucas (EPCC)
- Kevin Stratford (EPCC)
UKRI
- Richard Bailey (EPSRC)
Early Career Observers
- Peter Byrne (University of York)
- Joseph Prentice (University of Oxford)
- Oleksandr Zhdanov (University of Glasgow)
- Jack Betteridge (Imperial College)
Projects funded from the 5th eCSE call
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ARCHER2-eCSE05-3 PI: Dr Maarten van Reeuwijk (Imperial College London) “uDALES: towards exa-scale simulation of air quality and microclimate in urban environments” (7 months) [UKTC]
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ARCHER2-eCSE05-4 PI: Prof Chris-Kriton cks Skylaris (University of Southampton) “Scaling up and coupling adaptive kinetic Monte Carlo with large-scale DFT” (12 months)
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ARCHER2-eCSE05-6 PI: Dr Wenqiang Zhang (University of Nottingham) “Acceleration of a 3D multiphase flow solver for icing simulation” (6 months) [UKTC]
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ARCHER2-eCSE05-8 PI: Dr Ian J Bush (STFC) “Introducing Spin-Orbit Coupling into MPPCRYSTAL” (12 months) [MCC]
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ARCHER2-eCSE05-9 PI: Dr Jianping Meng (STFC) “Implementation of the Discrete Unified Gas Kinetic Scheme in Code_Saturne targeting Exascale” (10 months) [UKCOMES]
6th ARCHER2 eCSE call (eCSE06)
Panel meeting 6 April 2022 (virtual meeting)
Panel Members
- Walter Lioen [Chair] (SURF)
- Ash Vadgama (AWE)
- Stewart Cant (University of Cambridge)
- Joanna Leng (University of Leeds)
eCSE Team
- Chris Johnson
- Xu Guo
- Catherine Inglis
ARCHER2 Service Representatives
- Kevin Stratford (EPCC)
UKRI
- Richard Bailey (EPSRC)
Early Career Observers
- Ryan Hunt (Lancaster University)
- Rui Apostolo (University of Edinburgh)
- Osama Maklad (University of Greenwich)
- Pavel Stishenko (Cardiff University)
Projects funded from the 6th eCSE call
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ARCHER2-eCSE06-1 PI: Dr Mirco Magnini (University of Nottingham) “Hybrid Atomistic-Continuum Simulations of Boiling Across Scales” (12 months)
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ARCHER2-eCSE06-2 PI: Dr. Michele Sergio Campobasso (Lancaster University) “Streamlined parallel I/O and fluid/structure interaction functionalities in Navier-Stokes ARCTIC and COSA codes for renewable energy and propulsion applications” (7 months)
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ARCHER2-eCSE06-3 PI: Prof Prashant Valluri (University of Edinburgh) “Enhancing TPLS: Incorporating Boiling and Technical Improvements” (6 months)
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ARCHER2-eCSE06-4 PI: Dr Sylvain Laizet (Imperial College) “3decomp: Towards Adaptive Mesh Refinement in the high-order CFD code Xcompact3d” (12 months) [UKTC]
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ARCHER2-eCSE06-6 PI: Dr Richard F L Evans (University of York) “Implementing spin-lattice dynamics within the VAMPIRE software package” (12 months)
7th ARCHER2 eCSE call (eCSE07)
Panel meeting 12 July 2022 (virtual meeting)
Panel Members
- Walter Lioen [Chair] (SURF)
- James Grant (AWS)
- Jonathan Flynn (University of Southampton)
- Sergio Campobasso (Lancaster University)
- Catherine O’Sullivan (Imperial College London)
- Nicholas Hine (University of Warwick)
eCSE Team
- Chris Johnson (EPCC)
- Xu Guo (EPCC)
- Catherine Inglis (EPCC)
- Lorna Smith (EPCC)
ARCHER2 Service Representatives
- Kevin Stratford (EPCC)
- William Lucas (EPCC)
- Harvey Richardson (Cray HPE)
UKRI
- Richard Bailey (EPSRC)
Early Career Observers
- Robin Corey (University of Oxford)
- Xiaosheng Chen (University of Oxford)
- Jialin Su (Loughborough University)
- Stefano Cipolla (University of Edinburgh)
Projects funded from the 7th eCSE call
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ARCHER2-eCSE07-1 PI: Dr Timo Betcke (University College London) Towards exascale sparse linear algebra in Rust (3 months)
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ARCHER2-eCSE07-2 PI: Dr Laura Ratcliff (University of Bristol) Improving the Performance of Linear-Scaling BigDFT for ARCHER2 and Beyond (9 months) [UKCP]
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ARCHER2-eCSE07-3 PI: Dr Alex Skillen (University of Manchester) Extending the capabilities of the DNS code Xcompact3D by incorporating Magnetohydrodynamics (MHD), for large scale turbulent flows on ARCHER2 (6 months) [UKTC]
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ARCHER2-eCSE07-6 PI: Dr Elisabetta Boella (Lancaster University) Improving parallel performances of the semi-implicit Particle-In-Cell code ECsim (7 months) [Plasma HEC Consortium]
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ARCHER2-eCSE07-7 PI: Prof Ling Qian (Manchester Metropolitan University) Optimising the OpenFOAM overset mesh solver for complex wave structure interaction simulations (12 months)
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ARCHER2-eCSE07-8 PI: Dr Fang Jian (STFC) Implementation of a DNS capability for hypersonic turbulent flows in the high-altitude atmosphere (6 months) [UKTC]
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ARCHER2-eCSE07-9 PI: Dr Dermot Green (Queen’s University Belfast) Many-body theory of antimatter interactions with molecules (12 months)
8th ARCHER2 eCSE call (eCSE08)
Panel meeting 14 December 2022 (virtual meeting)
Panel Members
- Walter Lioen [Chair] (SURF)
- Alison Kennedy (Hartree/STFC)
- Nicholas Hine (University of Warwick)
- Charles Laughton (University of Nottingham)
- Helen Chappell (University of Leeds)
- James Grant (AWS)
eCSE Team
- Chris Johnson (EPCC)
- Xu Guo (EPCC)
- Catherine Inglis (EPCC)
- Lorna Smith (EPCC)
ARCHER2 Service Representatives
- Michael Bareford (EPCC)
- David Henty (EPCC)
- Harvey Richardson (Cray HPE)
UKRI
- Richard Bailey (EPSRC)
Early Career Observers
- Anna Crawford (University of Edinburgh)
- Thomas Hicken (Royal Holloway)
- Saleh Pouresmaeeli (University of Sheffield)
Projects funded from the 8th eCSE call
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ARCHER2-eCSE08-1 PI: Dr Steven E Williams (University of Edinburgh) Large dataset manipulation using OpenEP (18 months)
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ARCHER2-eCSE08-3 PI: Dr Andrew Logsdail (Cardiff University) Improvements in periodic representation of solvated systems with FHI-aims (10 months) [MCC]
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ARCHER2-eCSE08-5 PI: Dr Craig Warren (Northumbria University) Large-scale open-source computational electrodynamics: MPI domain decomposition for gprMax (12 months)
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ARCHER2-eCSE08-6 PI: Dr Wei Wang (Daresbury Laboratory) Implementing a multiphase flow modelling capability targeting boiling in the high-fidelity software CHAPSim2 (10 months)
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ARCHER2-eCSE08-10 PI: Prof David R Bowler (University College London) Improving multi-threaded scaling of CONQUEST (12 months) [UKCP]
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ARCHER2-eCSE08-11 PI: Dr James Gebbie-Rayet (Daresbury - STFC) Coupling Across the Continuum-Particle Divide with Code_Saturne and GROMACS (6 months) [HECBioSim]
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ARCHER2-eCSE08-12 PI: Dr Liang Yang (Cranfield University) MPI implementation of open-source fully-differentiable multiphase lattice Boltzmann code (12 months)
9th ARCHER2 eCSE call (eCSE09)
Panel meeting 13 April 2023 (virtual meeting)
Panel Members
- Walter Lioen [Chair] (SURF)
- Chris-Kriton Skylaris (University of Southampton)
- Jonathan Flynn (University of Southampton)
- Catherine O’Sullivan (Imperial College London)
- Andreas Hermann (University of Edinburgh)
eCSE Team
- Chris Johnson (EPCC)
- Xu Guo (EPCC)
- Catherine Inglis (EPCC)
- Lorna Smith (EPCC)
ARCHER2 Service Representatives
- Kevin Stratford (EPCC)
- William Lucas (EPCC)
- Harvey Richardson (Cray HPE)
UKRI
- Richard Bailey (EPSRC)
Early Career Observers
- Nathan Steinle (University of Birmingham)
- Todd Jones (University of Reading)
- Zhong-Nan Wang (University of Birmingham)
Projects funded from the 9th eCSE call
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ARCHER2-eCSE09-3 PI: Prof Jonathan R Yates (University of Oxford) Computing infra-red spectra using finite differencing in CASTEP (6 months) [UKCP]
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ARCHER2-eCSE09-4 PI: Dr Sergiu I Ruta (Sheffield Hallam University) Spin-wave implementation within the VAMPIRE software package (12 months)
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ARCHER2-eCSE09-5 PI: Dr Paul Bartholomew (EPCC, The University of Edinburgh) Optimising the ASiMoV-CCS flow solver for memory constrained large-scale simulations (18 months)
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ARCHER2-eCSE09-9 PI: Prof Alistair Revell (University of Manchester) A universal fluid-fluid coupling library for turbulent flows at exascale (9 months) [UKTC]
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ARCHER2-eCSE09-10 PI: Dr Jianping Meng (STFC) Developing a multiscale continuum framework for exascale computing of fluids with microstructure (10 months) [UKTC]
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ARCHER2-eCSE09-12 PI: Dr Ian J Bush (STFC) Optimising Memory Use in CRYSTAL23 and The Implementation of Kubo-Greenwood Theory (12 months) [MCC]
10th ARCHER2 eCSE call (eCSE10)
Panel meeting 29 June 2023 (virtual meeting)
Panel Members
- Walter Lioen [Chair] (SURF)
- Nicholas Hine (University of Warwick)
- Jimena Gorfinkiel (Open University)
- Sue Thorne (STFC)
eCSE Team
- Chris Johnson (EPCC)
- Xu Guo (EPCC)
- Catherine Inglis (EPCC)
- Lorna Smith (EPCC)
ARCHER2 Service Representatives
- William Lucas (EPCC)
- Harvey Richardson (Cray HPE)
UKRI
- Madhavi de Silva (EPSRC)
Early Career Observers
- Gabriel Bramley (Cardiff University)
Projects funded from the 10th eCSE call
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ARCHER2-eCSE10-1 PI: Dr Sylvain Laizet (Imperial College) Reducing data movements in the CFD solver Xcompact3d for optimised performance on ARCHER2 (6 months) [UKTC]
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ARCHER2-eCSE10-2 PI: Dr Hannah Menke (Heriot-Watt University) GeoChemFoam – A fully-parallel pore-scale physics numerical solver package for the energy transition (12 months)
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ARCHER2-eCSE10-3 PI: Prof Alfredo Pinelli (City University, London) Incorporating machine-learned Non-Newtonian closures into the DNS/LES code SUSA (8 months) [UKTC]
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ARCHER2-eCSE10-4 PI: Prof Yves Wiaux (Heriot-Watt University) Extreme-scale Parallelisation in Computational Imaging (EPCI) (18 months)
11th ARCHER2 eCSE call (eCSE11)
Panel meeting 5 December 2023 (virtual meeting)
Panel Members
- Walter Lioen [Chair] (SURF)
- Sue Thorne (STFC)
- Charles Laughton (University of Nottingham)
- Chris-Kriton Skylaris (University of Southampton)
- James Grant (AWS)
- Sharon Ashbrook (University of St Andrews)
- Jack Betteridge (Imperial College London)
eCSE Team
- Chris Johnson (EPCC)
- Xu Guo (EPCC)
- Catherine Inglis (EPCC)
- Lorna Smith (EPCC)
ARCHER2 Service Representatives
- William Lucas (EPCC)
- Harvey Richardson (Cray HPE)
UKRI
- Richard Bailey (EPSRC)
Early Career Observers
- Robert A Lawrence (University of York)
- Ajay Harish (University of Manchester)
Projects funded from the 11th eCSE call
- ARCHER2-eCSE11-1 PI: Dr Oliver T Brown (University of Edinburgh) BDQS (9 months)
- ARCHER2-eCSE11-2 PI: Dr Tobias Weinzierl (University of Durham) ExaHyPE-DSL (16 months)
- ARCHER2-eCSE11-3 PI: Dr Panagiotis Tsoutsanis (Cranfield University) Evolving UCNS3D CFD Software to Heterogeneous Exascale Systems via OpenMP (12 months) [UKTC]
- ARCHER2-eCSE11-5 PI: Dr. Jialin Su (Loughborough University) Implementation of conservative level set method for multiphase simulation in spectral/hp element framework Nektar++ (18 months)
- ARCHER2-eCSE11-7 PI: Dr David M Lewis (University of Liverpool) High Performance Algorithms for the Computation of the Hardy Function - Dissemination & Development (5 months)
- ARCHER2-eCSE11-9 PI: Prof Hugo van der Hart (Queen’s University Belfast) Enhanced parallelisation for R-matrix with time-dependence, double ionisation. (4.8 months)
- ARCHER2-eCSE11-10 PI: Prof Benedict Leimkuhler (School of Mathematics) Orthogonal splittings in OpenMM for efficient high-throughput molecular dynamics (6 months) [HECBioSim]
- ARCHER2-eCSE11-11 PI: Prof Graeme Ackland (University of Edinburgh) Machine-Learned Interatomic Potentials Tadah! (12 months) [UKCP]
- ARCHER2-eCSE11-12 PI: Dr Kevin Stratford (The University of Edinburgh) GPU implementation of colloidal suspensions (9 months) [UKCOMES]
- ARCHER2-eCSE11-14 PI: Prof Reinhard Maurer (University of Warwick) Implementation of scalable numeric atomic-orbital-based QM-in-QM embedding in FHI-aims (14 months) [MCC]
- ARCHER2-eCSE11-15 PI: Dr Zhihua Xie (Cardiff University) Large-eddy simulation of complex multiphase fluid-structure interactions (18 months)
- ARCHER2-eCSE11-16 PI: Prof Ilian T Todorov (Daresbury Laboratory) Sustainable software for mesoscopic scale simulation (9 months)