期刊
ACS MACRO LETTERS
卷 8, 期 11, 页码 1402-1406出版社
AMER CHEMICAL SOC
DOI: 10.1021/acsmacrolett.9b00632
关键词
-
资金
- NSF [DMR-182215, CNS-1725797, 1650114]
- CNSI, MRL: an NSF MRSEC [DMR-1720256]
We present a new methodology for polymer self-consistent field theory (SCFT) that has spectral accuracy in the contour dimension while retaining linear scaling of computational effort with system size. In contrast, traditional linear-scaling algorithms only have polynomial order accuracy. The improved accuracy allows for faster simulations and lower memory costs compared to traditional algorithms. The new spectral methods are enabled by converting from an auxiliary field representation to a recently developed polymer coherent states framework.
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