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Method Evaluations for Adsorption Free Energy Calculations at the Solid/Water Interface through Metadynamics, Umbrella Sampling, and Jarzynski's Equality

机译：通过Metadynamics，伞采样和Jarzynski的平等对固体/水界面的吸附自由能量计算的方法评估

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Qichao Wei; Weilong Zhao; Yang Yang; Beiliang Cui; Zhijun Xu; Xiaoning Yang;
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1. Method Evaluations for Adsorption Free Energy Calculations at the Solid/Water Interface through Metadynamics, Umbrella Sampling, and Jarzynski's Equality [J] . Wei Qichao, Zhao Weilong, Yang Yang, Chemphyschem: A European journal of chemical physics and physical chemistry . 2018,第6期

机译：通过Metadynamics，伞采样和Jarzynski的平等对固体/水界面的吸附自由能量计算的方法评估
2. Front Cover: Method Evaluations for Adsorption Free Energy Calculations at the Solid/Water Interface through Metadynamics, Umbrella Sampling, and Jarzynski's Equality (ChemPhysChem 6/2018) [J] . Wei Qichao, Zhao Weilong, Yang Yang, Chemphyschem: A European journal of chemical physics and physical chemistry . 2018,第6期

机译：前盖：通过Metadynamics，Umbrella采样和Jarzynski的平等的固体/水界面吸附自由能量计算的方法评估（Chemphyschem 6/2018）
3. Method Evaluations for Adsorption Free Energy Calculations at the Solid/Water Interface through Metadynamics, Umbrella Sampling, and Jarzynski's Equality [J] . Wei Qichao, Zhao Weilong, Yang Yang, Chemphyschem: A European journal of chemical physics and physical chemistry . 2018,第6期

机译：通过Metadynamics，伞采样和Jarzynski的平等对固体/水界面的吸附自由能量计算的方法评估
4. Adaptive Umbrella Sampling Algorithm for the Calculation of Peptide/Surface Adsorption Free Energy [C] . Feng Wang, Denis Y. Sun, S.J.Stuart, Society for Biomaterials Transaction of the 31st Annual Meeting vol.XXIX pt.2 . 2006

机译：计算肽/表面吸附自由能的自适应伞采样算法
5. Novel methods for solid-state free-energy calculations. [D] . Tan, Tai Boon. 2011

机译：固态自由能计算的新方法。
6. A Combined Metadynamics and Umbrella Sampling Method for the Calculation of Ion Permeation Free Energy Profiles [O] . Yong Zhang, Gregory A. Voth -1

机译：联合检测metadynamics和雨伞抽样法离子渗透自由能量曲线的计算
7. Front Cover: Method Evaluations for Adsorption Free Energy Calculations at the Solid/Water Interface through Metadynamics, Umbrella Sampling, and Jarzynski's Equality (ChemPhysChem 6/2018) [O] . Qichao Wei, Weilong Zhao, Yang Yang, 2018

机译：前盖：通过Metadynamics，Umbrella采样和Jarzynski的平等的固体/水界面吸附自由能量计算的方法评估（Chemphyschem 6/2018）

Method Evaluations for Adsorption Free Energy Calculations at the Solid/Water Interface through Metadynamics, Umbrella Sampling, and Jarzynski's Equality

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