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| Name: |
Professor PJ Knowles |
| Organisation: |
Cardiff University |
| Department: |
Chemistry |
| Current EPSRC-Supported Research
Topics: |
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Physical Organic Chemistry
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| Current EPSRC Support |
| EP/R014183/1 | A unified framework for quantum chemistry beyond the Born-Oppenheimer approximation | (P) |
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| Previous EPSRC Support |
| 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) |
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Key: (P)=Principal Investigator, (C)=Co-Investigator, (R)=Researcher Co-Investigator
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