Accelerated weight histogram method for exploring free energy landscapes
نویسندگان
چکیده
منابع مشابه
Calculation of free energy landscapes: A histogram reweighted metadynamics approach
We present an efficient method for the calculation of free energy landscapes. Our approach involves a history-dependent bias potential, which is evaluated on a grid. The corresponding free energy landscape is constructed via a histogram reweighting procedure a posteriori. Because of the presence of the bias potential, it can be also used to accelerate rare events. In addition, the calculated fr...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2014
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.4890371