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Researcher Details
 
Name: Professor D Willock
Organisation: Cardiff University
Department: Chemistry
Current EPSRC-Supported Research Topics:
Chemical Structure Software Engineering

Current EPSRC Support
EP/X035859/1 Materials Chemistry HEC Consortium (MCC)(C)
Previous EPSRC Support
EP/R029431/1 HIGH END COMPUTING MATERIALS CHEMISTRY CONSORTIUM(C)
EP/P033695/1 Fuel from biorenewable polyols: A new catalytic route(C)
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)
EP/L000202/1 MATERIALS CHEMISTRY HIGH END COMPUTING CONSORTIUM(C)
EP/I038748/1 The significance of the oxidation state of gold in heterogeneous catalysis(C)
EP/I030662/1 Scalable Quantum Chemistry with Flexible Embedding(C)
EP/G069395/1 COLLABORATIVE RESEARCH IN ENERGY WITH SOUTH AFRICA: UPGRADING OF LIGHT ALKANES TO FUELS(C)
EP/E030122/1 Visualising Inner and Outer Sphere Metal-Ligand Interactions in Enantioselective Homogeneous Catalysts by ENDOR Spectroscopy and Computer Modelling(C)
EP/C528638/1 Pilot Studies of High-Risk, High-Gain Research Ideas(C)
EP/C515749/1 Analysis Of Multiple Bonding In Main Group System: An Integrated Approach(R)
GR/S84415/01 Simulation on the Edge(C)
GR/N26708/01 MTP: MSC IN MOLECULAR MODELLING(P)
GR/M92683/01 NEW ATOMISTIC POTENTIAL FUNCTIONS FOR INCLUDING MOLECULAR POLARISABILITY IN COMPUTER SIMULATIONS(P)
GR/L88665/01 JREI:DEDICATED SUPERCOMPUTER FACILITY FOR COMPUTATIONAL CHEMISTRY STUDIES IN CHEM., BIOCHEM. & PHARMACY(P)
GR/L58842/01 NOVEL FRIEDL CRAFTS CATALYSTS USING CATION EXCHANGED ZEOLITES FOR THE CLEAN SYNTHESIS OF FINE CHEMICALS(C)
Key: (P)=Principal Investigator, (C)=Co-Investigator, (R)=Researcher Co-Investigator