用“软”势研究软物质：快速格点蒙特卡罗模拟和相应的格点自洽场计算
Studying Soft Matter with "Soft" Potentials: Fast Lattice Monte Carlo Simulations and Corresponding Lattice Self-Consistent Field Calculations
摘要：
快速蒙特卡罗（MC）模拟的基本思想是执行基于粒子的MC模拟与排除体积的相互作用建模的“软”排斥势，允许粒子重叠。这提供了更快的系统松弛和更好的采样的配置空间比传统的分子模拟与“硬”排斥，防止粒子重叠。在这里，我们提出了快速晶格MC（FLMC）模拟受限的均聚物，其中多个占用晶格网站是允许与适当的玻尔兹曼权重，因此最近邻相互作用的评价也可以避免。与基于\emph{same}哈密顿量的相应格点场论相比，FLMC模拟进一步提供了一种明确和定量揭示关联/涨落效应的有力手段。
英文摘要：
The basic idea of fast Monte Carlo (MC) simulations is to perform particle-based MC simulations with the excluded-volume interactions modeled by "soft" repulsive potentials that allow particle overlapping. This gives much faster system relaxation and better sampling of the configurational space than conventional molecular simulations with "hard" repulsions that prevent particle overlapping. Here we present fast lattice MC (FLMC) simulations for confined homopolymers, where multiple occupancy of lattice sites is allowed with a proper Boltzmann weight and thus the evaluation of nearest-neighbor interactions can also be avoided. When compared with the corresponding lattice field theories based on the \emph{same} Hamiltonian, FLMC simulations further provide a powerful means for unambiguously and quantitatively revealing the correlation/fluctuation effects.
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