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摘要翻译：
经典系综中复杂系统的传统模拟存在拟遍历性问题。广义系综中的模拟克服了这一困难，在势能空间和其他参数空间中进行随机游动。通过单直方图和/或多直方图加权技术，只需一次模拟，就可以得到物理量作为温度函数的正则系综平均值。本文综述了广义集成算法。首先介绍了三种常用的算法，即多点算法、模拟回火法和副本交换法。文中给出了蒙特卡罗算法和分子动力学算法。然后，我们给出了上述三种方法的进一步扩展。
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英文标题：
《Generalized-Ensemble Algorithms for Protein Folding Simulations》
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作者：
Yuji Sugita (RIKEN), Ayori Mitsutake (Keio University), and Yuko
Okamoto (Nagoya University)
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最新提交年份：
2007
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分类信息：
一级分类：Physics 物理学
二级分类：Statistical Mechanics 统计力学
分类描述：Phase transitions, thermodynamics, field theory, non-equilibrium phenomena, renormalization group and scaling, integrable models, turbulence
相变，热力学，场论，非平衡现象，重整化群和标度，可积模型，湍流
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一级分类：Physics 物理学
二级分类：Soft Condensed Matter 软凝聚态物质
分类描述：Membranes, polymers, liquid crystals, glasses, colloids, granular matter
膜，聚合物，液晶，玻璃，胶体，颗粒物质
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英文摘要：
Conventional simulations of complex systems in the canonical ensemble suffer from the quasi-ergodicity problem. A simulation in generalized ensemble overcomes this difficulty by performing a random walk in potential energy space and other parameter space. From only one simulation run, one can obtain canonical-ensemble averages of physical quantities as functions of temperature by the single-histogram and/or multiple-histogram reweighting techniques. In this article we review the generalized-ensemble algorithms. Three well-known methods, namely, multicanonical algorithm, simulated tempering, and replica-exchange method, are described first. Both Monte Carlo and molecular dynamics versions of the algorithms are given. We then present further extensions of the above three methods.
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PDF链接：
https://arxiv.org/pdf/707.3382
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