Multiscale molecular simulations of the formation and structure of polyamide membranes created by interfacial polymerization von Muscatello, J., Müller, E.A., Mostofi, A.A., Sutton, A.P.

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Mechanisms of reinforcement in polymer nanocomposites von Molinari, N, Sutton, A P, Mostofi, A A

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Molecular Simulation of Gas Solubility in Nitrile Butadiene Rubber von Khawaja, M, Sutton, A. P, Mostofi, A. A

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Molecular Model for HNBR with Tunable Cross-Link Density von Molinari, N, Khawaja, M, Sutton, A. P, Mostofi, A. A

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Linear-scaling density-functional theory with tens of thousands of atoms: Expanding the scope and scale of calculations with ONETEP von Hine, N.D.M., Haynes, P.D., Mostofi, A.A., Skylaris, C.-K., Payne, M.C.

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Elimination of basis set superposition error in linear-scaling density-functional calculations with local orbitals optimised in situ von Haynes, P.D., Skylaris, C.-K., Mostofi, A.A., Payne, M.C.

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A Multi-Scale Model for Polymer Membranes von Broadbent, R.J., Spencer, J.S., Livingston, A.G., Mostofi, A.A., Sutton, A.P.

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