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Researcher Details
 
Name: Professor P Popelier
Organisation: University of Manchester, The
Department: Chemistry
Current EPSRC-Supported Research Topics:
Chemical Structure Gas & Solution Phase Reactions

Current EPSRC Support
EP/K005472/1 Reliable computational prediction of molecular assembly(P)
Previous EPSRC Support
EP/J019623/1 Modelling Carbohydrate Solution Structure Using a Novel Combined Experimental-Computational Strategy(P)
EP/E010687/1 Engineering the convergence of chemistry and biology: resolving the incompatibility of bio- and chemical catalysis(C)
EP/C015231/1 Polarization for molecular simulation from a neural network trained by ab initio electron densities of clusters(P)
GR/N04423/01 THE FULL TOPOLOGY OF THE LAPLACIAN OF THE ELECTRON DENSITY(P)
GR/M18119/01 RIGOROUS CHEMICAL INTERPRETATION OF ATOMIC CONTRIBUTIONS IN ACCURATE INTERMOLECULAR POTENTIALS(P)
GR/L65895/01 A FAST AND RELIABLE MOLECULAR SIMILARITY INDEX BASED ON THE CHARGE DENSITY(P)
Key: (P)=Principal Investigator, (C)=Co-Investigator, (R)=Researcher Co-Investigator