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EPSRC Support by Research Area (Computational & Theoretical Chemistry) in Theme (Research Infrastructure)

Research areas are used to describe EPSRC's portfolio of excellent long term research and high quality postgraduate training.

Grants are classified using one or more research areas. The number and value of grants listed below reflects how the theme portfolio is described by this research area.

Please note: some research areas will appear under multiple themes. There is no unique, absolute, relationship between a research area and a theme.

Grant TitlePrincipal
Investigator		OrganisationDepartmentTotal Grant
Value (£)
An integrated 'workbench' environment for Quantum CrystallographyPuschmann, Professor HDurham, University ofMathematical Sciences 325,334
An integrated 'workbench' environment for Quantum CrystallographyColes, Professor SJUniversity of SouthamptonSch of Chemistry 400,525
CP2K For Emerging Architectures And Machine LearningWatkins, Professor MBUniversity of LincolnSchool of Maths and Physics 525,899
Developing next-generation DL_POLY for the benefit of the modelling communityTrachenko, Professor KQueen Mary University of LondonPhysics 431,161
Supporting the OpenMM Community-led Development of Next-Generation Condensed Matter Modelling SoftwareMichel, Dr JUniversity of EdinburghSch of Chemistry 464,871

Total Number of Grants: 5
Total Value of Grants: £2,147,790

The grant value may include the cost of access to facilities (these funds are not awarded to the grant holding organisation).