A Multi-Scale Model for Polymer Membranes

作者: R.J. Broadbent , J.S. Spencer , A.G. Livingston , A.A. Mostofi , A.P. Sutton

DOI: 10.1016/J.PROENG.2012.08.460

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参考文章(6)
H. Strathmann, K. Kock, The formation mechanism of phase inversion membranes Desalination. ,vol. 21, pp. 241- 255 ,(1977) , 10.1016/S0011-9164(00)88244-2
Chris-Kriton Skylaris, Peter D. Haynes, Arash A. Mostofi, Mike C. Payne, IntroducingONETEP: Linear-scaling density functional simulations on parallel computers The Journal of Chemical Physics. ,vol. 122, pp. 084119- 084119 ,(2005) , 10.1063/1.1839852
A. A. Mostofi, P. D. Haynes, C. -K. Skylaris, M. C. Payne, ONETEP: linear-scaling density-functional theory with plane-waves Molecular Simulation. ,vol. 33, pp. 551- 555 ,(2007) , 10.1080/08927020600932801
Nicholas D. M. Hine, Mark Robinson, Peter D. Haynes, Chris-Kriton Skylaris, Mike C. Payne, Arash A. Mostofi, Accurate ionic forces and geometry optimization in linear-scaling density-functional theory with local orbitals Physical Review B. ,vol. 83, pp. 195102- ,(2011) , 10.1103/PHYSREVB.83.195102