A perspective on the microscopic pressure (stress) tensor: History, current understanding, and future challenges von Shi, Kaihang, Smith, Edward R., Santiso, Erik E., Gubbins, Keith E.

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Can we define a unique microscopic pressure in inhomogeneous fluids? von Shi, Kaihang, Santiso, Erik E., Gubbins, Keith E.

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Dissipative particle dynamics study of the water/benzene/caprolactam system in the absence or presence of non-ionic surfactants von Shi, Kaihang, Lian, Cheng, Bai, Zhishan, Zhao, Shuangliang, Liu, Honglai

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ATF4-mediated circTDRD3 promotes gastric cancer cell proliferation and metastasis by regulating the miR-891b/ITGA2 axis and AKT signaling pathway von Zhou, Peng, Qu, Huiheng, Shi, Kaihang, Chen, Xingyu, Zhuang, Zequn, Wang, Ning, Zhang, Qing, Liu, Ziyuan, Wang, Linkun, Deng, Kaiyuan, Zhao, Yupeng, Shan, Ting, Fan, Guidi, Chen, Yigang, Xia, Jiazeng

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Microscopic Pressure Tensor in Cylindrical Geometry: Pressure of Water in a Carbon Nanotube von Shi, Kaihang, Shen, Yifan, Santiso, Erik E, Gubbins, Keith E

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Bottom-Up Approach to the Coarse-Grained Surface Model: Effective Solid–Fluid Potentials for Adsorption on Heterogeneous Surfaces von Shi, Kaihang, Santiso, Erik E, Gubbins, Keith E

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Advanced Progress of Organic Photovoltaics von Wu, Xinlei, Zhang, Yuanpeng, Shi, Kaihang, Ma, Xiaoling, Zhang, Fujun

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High-density equation of state for a two-dimensional Lennard-Jones solid von Shi, Kaihang, Gu, Kai, Shen, Yifan, Srivastava, Deepti, Santiso, Erik E., Gubbins, Keith E.

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Surface-Driven High-Pressure Processing von Gubbins, Keith E., Gu, Kai, Huang, Liangliang, Long, Yun, Mansell, J. Matthew, Santiso, Erik E., Shi, Kaihang, Śliwińska-Bartkowiak, Małgorzata, Srivastava, Deepti

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Exploring the Structural, Dynamic, and Functional Properties of Metal‐Organic Frameworks through Molecular Modeling von Formalik, Filip, Shi, Kaihang, Joodaki, Faramarz, Wang, Xijun, Snurr, Randall Q.

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Water-Accelerated Transport: Vapor-Phase Nerve Agent Simulant Delivery within a Catalytic Zirconium Metal–Organic Framework as a Function of Relative Humidity von Wang, Rui, Shi, Kaihang, Liu, Jian, Snurr, Randall Q., Hupp, Joseph T.

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Metal-free phenothiazine dyes with alkoxy chains modified at different position for dye-sensitized solar cells von Xu, Wenjuan, Fu, Shuo, Yuan, Jiaxuan, Hu, Xingyi, Shi, Kaihang, Mi, Baoxiu, Gao, Zhiqiang, Ma, Tingchun

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The characteristics, tumorigenicities and therapeutics of cancer stem cells based on circRNAs von Zhou, Peng, Chen, Xingyu, Shi, Kaihang, Qu, Huiheng, Xia, Jiazeng

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Efficient Implementation of Monte Carlo Algorithms on Graphical Processing Units for Simulation of Adsorption in Porous Materials von Li, Zhao, Shi, Kaihang, Dubbeldam, David, Dewing, Mark, Knight, Christopher, Vázquez-Mayagoitia, Álvaro, Snurr, Randall Q.

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Measuring Mass Transfer of n‑Hexane and 2‑Chloroethyl Ethyl Sulfide in Sorbent/Polymer Fiber Composites Using a Volumetric Adsorption Apparatus von Son, Florencia A., Shi, Kaihang, Snurr, Randall Q., Farha, Omar K.

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Packing density, homogeneity, and regularity: Quantitative correlations between topology and thermoresponsive morphology of PNIPAM-co-PAA microgel coatings von Cutright, Camden, Brotherton, Zach, Alexander, Landon, Harris, Jacob, Shi, Kaihang, Khan, Saad, Genzer, Jan, Menegatti, Stefano

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Conformal Sites Theory for Adsorbed Films on Energetically Heterogeneous Surfaces von Shi, Kaihang, Santiso, Erik E, Gubbins, Keith E

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MOFX-DB: An Online Database of Computational Adsorption Data for Nanoporous Materials von Bobbitt, N. Scott, Shi, Kaihang, Bucior, Benjamin J., Chen, Haoyuan, Tracy-Amoroso, Nathaniel, Li, Zhao, Sun, Yangzesheng, Merlin, Julia H., Siepmann, J. Ilja, Siderius, Daniel W., Snurr, Randall Q.

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New phenothiazine dyes containing benzothiadiazole-acceptor for dye-sensitized solar cells von Ding, Yongjie, Li, Jianhua, Liu, Shuaishuai, Tan, Yanfang, Shi, Kaihang, Jiao, Yunfei, Mi, Baoxiu, Xu, Wenjuan, Gao, Zhiqiang

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Two-Dimensional Energy Histograms as Features for Machine Learning to Predict Adsorption in Diverse Nanoporous Materials von Shi, Kaihang, Li, Zhao, Anstine, Dylan M., Tang, Dai, Colina, Coray M., Sholl, David S., Siepmann, J. Ilja, Snurr, Randall Q.

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