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Researcher Details
 
Name: Professor PJ Knowles
Organisation: Cardiff University
Department: Chemistry
Current EPSRC-Supported Research Topics:

Current EPSRC Support
There is no current EPSRC Support
Previous EPSRC Support
EP/R014183/1 A unified framework for quantum chemistry beyond the Born-Oppenheimer approximation(P)
EP/L027240/1 Core Capability for Chemistry Research: Cardiff School of Chemistry Mass Spectrometry(P)
EP/J015091/1 National Training Schools in Theoretical Chemistry, 2012 and 2014(C)
EP/J011908/1 Enabling next generation quantum chemistry(P)
EP/J013080/1 Highly efficient time-domain quantum chemistry algorithms(C)
EP/D001641/1 Cardiff Centre for Physical Organic Chemistry(C)
EP/C007832/1 Performance Engineering for High End Computing Applications(C)
GR/S27252/01 A Midlands e-Science Centre of Excellence Proposal:Modelling and Analysis of Large Complex Systems(C)
GR/R94466/01 ChemReact Computing Consortium 2002-2005(C)
GR/N07912/01 ORBITAL-FREE QUANTUM CHEMISTRY(P)
GR/M44453/01 CHEMREACT COMPUTING CONSORTIUM 1998-2001(C)
GR/L04993/01 CHEMICAL REACTIONS AND ENERGY EXHANGE PROCESSES(C)
GR/L56701/01 ELECTRON CORRELATION IN REAL SPACE(P)
GR/L12011/01 MULTICONFIGURATIONAL SEMIEMPIRICAL MOLECULAR ELECTRONIC STRUCTURE(P)
GR/K41656/01 CHEMICAL REACTIONS AND ENERGY EXCHANGE PROCESSES(C)
GR/K79970/01 INVESTIGATIONS OF DENSITY FUNCTIONAL THEORY(P)
GR/K25663/01 POTENTIAL ENERGY SURFACES FOR MOLECULES, SOLIDS AND CLUSTERS(P)
GR/J83307/01 INVESTIGATIONS OF DENSITY FUNCTIONAL THEORY(P)
GR/J66546/01 THE CHEMICAL AND PHYSICAL PROPERTIES OF CLUSTERS(C)
GR/H61872/01 INTEGRAL-DIRECT COMPUTATION OF MOLECULAR ELECTRON CORRELATION EFFECTS(P)
GR/H08273/01 COMPUTATIONAL FACILITIES FOR THEORETICAL CHEMISTRY(P)
Key: (P)=Principal Investigator, (C)=Co-Investigator, (R)=Researcher Co-Investigator