| EP/M011291/1 | CCP5 Flagship DL_MONTE: Monte Carlo Simulation of Condensed Phases | (C) |
| EP/K038419/1 | Scalable Quantum Chemistry with Flexible Embedding Stage 2 | (C) |
| EP/K025597/1 | Experimentally verified atomistic modelling of lime in construction materials | (C) |
| EP/K016288/1 | Energy Materials: Computational Solutions | (C) |
| EP/K004956/1 | Applying Long-lived Metastable States with Switchable Functionality via Kinetic Control of Molecular Assembly - a Programme in Functional Materials | (C) |
| EP/I03601X/1 | Nanostructured Thermoelectric Oxides for Energy Generation: A Combined Experimental and Modelling Investigation | (P) |
| EP/I03014X/1 | HPC simulations of complex solids and clusters using static lattice techniques | (C) |
| EP/I030662/1 | Scalable Quantum Chemistry with Flexible Embedding | (C) |
| EP/J010480/1 | CCP5: The computer Simulation of Condensed Phases. | (P) |
| EP/H001220/1 | Building Ceramic Metamaterials from Nanoparticles: A combined Modelling, Tomography and In-situ Loading Study. | (C) |
| EP/H005838/1 | Building Ceramic Metamaterials from Nanoparticles: A combined Modelling, Tomography and In-situ Loading Study. | (P) |
| EP/D053897/2 | Crystal Growth of Nanoporous Materials | (C) |
| EP/D053897/1 | Crystal Growth of Nanoporous Materials | (C) |
| EP/D039673/1 | Feasibility of hydrogen storage and sensing on novel TiO2 nanotube materials | (C) |
| GR/S84415/01 | Simulation on the Edge | (P) |
| GR/S48431/01 | Evolutionary Simulation of the Structure, Properties and Reactivity of Ionic Nanoparticles Using Teraflop Computing | (C) |
| GR/S48448/01 | Evolutionary Simulation of the Structure, Properties and Reactivity of Ionic Nanoparticles Using Teraflop Computing | (P) |
| GR/R45734/01 | Atomistic Modelling of Charged Oxide Surfaces in contact with Aqueous Solution | (P) |
| GR/R29116/01 | Control of Calcium Carbonate Growth By Ions, Molecules and Templates | (P) |
| GR/L35577/01 | GROWTH, DISSOLUTION AND MORPHOLOGY IN CERAMIC MATERIALS | (P) |
| GR/L04931/01 | A CONSORTIUM FOR MPP SUPERCOMPUTING IN MATERIALS CHEMISTRY | (C) |
| GR/K41625/01 | A CONSORTIUM FOR MPP SUPERCOMPUTING IN MATERIALS CHEMISTRY | (C) |
| GR/J34033/01 | COMPUTER SIMULATION OF SOLID TO SOLID PHASE TRANSITIONS IN CERAMICS A ND MINERALS. | (P) |
| GR/J34040/01 | IMPORTANCE OF CRYS FIELD TERMS ON SURF STRUCT AND REACTY OF TRANS.METAL OXIDES USING COMPT.SIMULT. | (P) |
| GR/H64705/01 | COMPUTER SIMULATION OF THE OXIDE-METAL INTERFACE | (C) |
| GR/H36405/01 | COMPUTER SIMULATION OF DEFECTIVE CERAMIC OXIDE MATERIALS | (P) |
| GR/H36191/01 | COMPUTATIONAL STUDIES OF DIFFUSION AND SORPTION IN ZEOLITES | (P) |
| GR/G13990/01 | ELECTRONIC STRUCTURE AND SIMULATION MODELLING OF SOLIDS AND SURFACES | (C) |
| GR/F50152/01 | COMPUTER SIMULATION OF CONTROLLED CRYSTAL GROWTH ON ORGANIC & BIOLOGICAL TEMPLATES | (P) |
| GR/F23781/01 | COMPUTER MODELLING OF ADSORPTION AND REACTIVITY AT OXIDE AND LAYERED-SILICATE SURFACES | (C) |
| GR/F86342/01 | COMPUTER SIMULATION STUDIES OF SUPERCONDUCTING OXIDES. | (C) |
| GR/E96405/01 | THEORY OF STRUCTURAL AND ELECTRONIC PROPERTIES OF SOLIDS AND SURFACES | (C) |
| GR/E58861/01 | COMPUTER MODELLING OF STABILITY AND SORPTION IN ALUMINO-SILICATE CATALYSTS | (P) |