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Researcher Details
 
Name: Professor FR Manby
Organisation: University of Bristol
Department: Chemistry
Current EPSRC-Supported Research Topics:
Condensed Matter Physics Gas & Solution Phase Reactions
Physical Organic Chemistry

Current EPSRC Support
EP/R014493/1 A unified framework for quantum chemistry beyond the Born-Oppenheimer approximation(P)
EP/R011656/1 Fundamental Studies of Electron Correlation with Applications to DFT(P)
EP/P022308/1 Beyond Classical Molecular Dynamics: Developing DL_POLY(C)
EP/L015722/1 EPSRC Centre for Doctoral Training in Theory and Modelling in Chemical Sciences.(C)
Previous EPSRC Support
EP/M013111/1 Embedded mean-field theory: chemical simulation in complex environments(P)
EP/K018965/1 Scalable electronic structure theory: the embedded electron-pair approximation(P)
EP/J015091/1 National Training Schools in Theoretical Chemistry, 2012 and 2014(C)
EP/J012742/1 Quantum embedding for condensed-phase reactivity(P)
EP/J013080/1 Highly efficient time-domain quantum chemistry algorithms(C)
EP/G042853/1 Multiscale Ensemble Computing for Modelling Biological Catalysts(C)
EP/G00224X/1 New Horizons in Chemical and Photochemical Dynamics(C)
EP/F000219/1 Development of a wavefunction-based electronic structure method for Monte-Carlo simulation of fluids(P)
EP/F010516/1 Accelerating rational drug design with multi-threaded array processors(P)
EP/C532910/1 Accurate QM/MM methods for modelling enzyme catalysis(P)
GR/T24135/01 Design of Laser Pulses for the Control of Molecular Transformations and Quantum State Populations(C)
GR/R94466/01 ChemReact Computing Consortium 2002-2005(C)
GR/R93704/01 Density fitting in explicitly correlated electronic structure theory(P)
Key: (P)=Principal Investigator, (C)=Co-Investigator, (R)=Researcher Co-Investigator