Impact case study database

The impact case study database allows you to browse and search for impact case studies submitted to the REF 2021. Use the search and filters below to find the impact case studies you are looking for.

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Predicting the properties of materials with first-principles electronic structure software (CASTEP)

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Submitting institution

University of York

Unit of assessment

9 - Physics

Summary impact type

Technological

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Is this case study continued from a case study submitted in 2014?

Underpinning research subjects

Condensed Matter Physics
Physical Chemistry (Incl. Structural)
Materials Engineering

1. Summary of the impact

2. Underpinning research

3. References to the research

4. Details of the impact

5. Sources to corroborate the impact

Additional contextual information

Grant funding

Grant number	Value of grant
EP/F036884/1	£393,767
EP/K013564/1	£395,825
EP/M011070/1	£22,563
EP/P022561/1	£471,671
N/A	£24,262
N/A	£36,393
eCSE01-017	£99,463
eCSE02-09	£58,020
eCSE10-010	£61,622
EP/R025770/1	£810,260
eCSE07-006	£69,148
eCSE11-07	£42,948
eCSE08-010	£46,217
eCSE11-17	£46,217

Countries

UK
Worldwide
UK
Worldwide
UK
Worldwide
UK
Worldwide
UK
Worldwide
UK
Worldwide
UK
Worldwide
UK
Worldwide
UK
Worldwide
UK
Worldwide
UK
Worldwide
UK
Worldwide
UK
Worldwide
UK
Worldwide

Formal partners

Dassault Systemes Simulia Ltd
Royal Holloway, Uni of London
Oxford e-Research Centre
Royal Holloway, Uni of London
University of Cambridge
Rutherford Appleton Laboratory
STFC
Uni of Leeds
Dublin City Uni
nVIDIA
Uni of Oxford
UCL
Uni of Edinburgh
Uni of Warwick
Argonne National Lab
Uni of Bristol
UKCP Consortium
UK SuperSTEM Lab
BIOVIA
Uni of Cambridge
STFC-Labs
Uni of Sheffield
Diamond Light Source
Uni of Southampton
Cray
Uni of Warwick
Royal Holloway, Uni of London
Uni of Oxford
Uni of Cambridge
Uni of Cambridge

Global research identifiers

grid.421091.f
grid.421091.f
grid.421091.f
grid.421091.f
grid.436766.6
grid.436766.6
grid.4305.2
grid.4305.2
grid.4305.2
grid.421091.f
grid.4305.2
grid.4305.2
grid.4305.2
grid.4305.2

Name of funders

EPSRC
UKCP-1
EPSRC
UKCP-2
EPSRC
Software for the Future Call II (GW+DMFT)
EPSRC
UKCP-3
NAG Ltd
dCSE
NAG Ltd
dCSE LBFGS
EPCC
Embedded CSE
OpenMP
EPCC
Embedded CSE
eCSE SEDC-1
EPCC
Embedded CSE
eCSE SEDC-2
EPSRC
Research Software Engineering Fellowship II
EPCC
eCSE
EPCC
eCSE
EPCC
eCSE
EPCC
eCSE

Researcher ORCIDs

0000-0002-1130-9316
0000-0002-1130-9316
0000-0002-1130-9316
0000-0002-1130-9316
0000-0002-4314-4093
0000-0002-1130-9316
0000-0002-4314-4093
0000-0002-1130-9316
0000-0002-4314-4093
0000-0002-1130-9316
0000-0002-4314-4093
0000-0002-1130-9316
0000-0002-4314-4093
0000-0002-1130-9316
0000-0002-4314-4093
0000-0002-4314-4093
0000-0002-1130-9316
0000-0002-1130-9316
0000-0002-4314-4093
0000-0002-4314-4093