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Researcher Details
 
Name: Professor TW Keal
Organisation: STFC Laboratories (Grouped)
Department: Scientific Computing Department
Current EPSRC-Supported Research Topics:
Catalysis & Applied Catalysis Computer Sys. & Architecture
Mathematical Analysis Parallel Computing
Software Engineering

Current EPSRC Support
EP/W014378/1 Predictive multiscale free energy simulations of hybrid transition metal catalysts(P)
EP/W026775/1 Particles At eXascale on High Performance Computers (PAX-HPC)(C)
Previous EPSRC Support
EP/V001507/1 Materials and Molecular Modelling Exascale Design and Development Working Group(C)
EP/R001847/1 Transition metal controlled nitrogen chemistry in zeolite and protein environments using a unified quantum embedding model(P)
EP/P022235/1 Surface and Interface Toolkit for the Materials Chemistry Community(C)
EP/K038419/1 Scalable Quantum Chemistry with Flexible Embedding Stage 2(C)
Key: (P)=Principal Investigator, (C)=Co-Investigator, (R)=Researcher Co-Investigator