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Researcher Details
 
Name: Dr AA Sokol
Organisation: UCL
Department: Chemistry
Current EPSRC-Supported Research Topics:

Current EPSRC Support
EP/W014580/1 Predictive multiscale free energy simulations of hybrid transition metal catalysts(R)
EP/W026775/1 Particles At eXascale on High Performance Computers (PAX-HPC)(R)
EP/R029431/1 HIGH END COMPUTING MATERIALS CHEMISTRY CONSORTIUM(R)
Previous EPSRC Support
EP/R043612/1 Boundary Conditions for Atomistic Simulation of Material Defects(R)
EP/R001847/1 Transition metal controlled nitrogen chemistry in zeolite and protein environments using a unified quantum embedding model(R)
EP/K038419/1 Scalable Quantum Chemistry with Flexible Embedding Stage 2(C)
EP/I030662/1 Scalable Quantum Chemistry with Flexible Embedding(C)
Key: (P)=Principal Investigator, (C)=Co-Investigator, (R)=Researcher Co-Investigator