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FLAT HISTOGRAM MONTE CARLO FOR LOW TEMPERATURE SIMULATIONS

机译:平均直方图Monte Carlo用于低温模拟

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The flat histogram Monte Carlo (FHMC) algorithm has been proposed as an efficient sampling scheme for problems with a complex free energy landscape. Its successful implementation requires fast and stable determination of the sampling weight function which can be a challenge for simulation at low temperatures. We describe here a polynomial parameterization of the sampling weight function which allows one to perform noise filtering and extrapolation at the same time. Efficiency of the scheme as compared to Berg's original iterative formula is demonstrated on the two-dimensional compass model for d-orbital ordering.
机译:扁平直方图蒙特卡罗(FHMC)算法已经提出是一种有效的采样方案,用于复杂的自由能景观。其成功实施需要快速稳定地确定采样权重函数,这可能是在低温下模拟的挑战。我们在此描述了采样权重函数的多项式参数化,其允许同时执行噪声滤波和外推。与BERG的原始迭代公式相比,该方案的效率在D-orbital排序的二维罗盘模型上证明了对抗的原始迭代公式。

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