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Understanding Differences in Water Adsorption Isotherms: Structural Variations, Force Fields, and Monte Carlo Simulation Approaches 理解水吸附等温线的差异:结构变化、力场和蒙特卡洛模拟方法 Formalik, Filip; Jia, Beibei; Mazur, Bartosz; Prerna; Li, Zhao; Liu, Hsiao-Feng; Parihar, Pragya; Snurr, Randall Q.; Siepmann, J. Ilja 分享 收藏
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Large-scale molecular dynamics simulations of bubble collapse in water: Effects of system size, water model, and nitrogen Chen, Jingyi L.; Prelesnik, Jesse L.; Liang, Buyun; Sun, Yangzesheng; Bhatt, Mrugank; Knight, Christopher; Mahesh, Krishnan; Siepmann, J. Ilja 分享 收藏
Shaping the Water-Harvesting Behavior of Metal-Organic Frameworks Aided by Fine-Tuned GPT Models 通过微调的GPT模型来塑造金属有机框架的集水行为 Zheng, Zhiling; Alawadhi, Ali H.; Chheda, Saumil; Neumann, S. Ephraim; Rampal, Nakul; Liu, Shengchao; Nguyen, Ha L.; Lin, Yen-hsu; Rong, Zichao; Siepmann, J. Ilja; Gagliardi, Laura; Anandkumar, Anima; Borgs, Christian; Chayes, Jennifer T.; Yaghi, Omar M. 分享 收藏
A Nanocavitation Approach to Understanding Water Capture, Water Release, and Framework Physical Stability in Hierarchically Porous MOFs 一种纳米吸附方法,用于了解分层多孔mof中的水捕获,水释放和框架物理稳定性 Liu, Jian; Prelesnik, Jesse L.; Patel, Roshan; Kramar, Boris V.; Wang, Rui; Malliakas, Christos D.; Chen, Lin X.; Siepmann, J. Ilja; Hupp, Joseph T. 分享 收藏
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MOF Linker Extension Strategy for Enhanced Atmospheric Water Harvesting 用于增强大气集水的MOF接头扩展策略 Hanikel, Nikita; Kurandina, Daria; Chheda, Saumil; Zheng, Zhiling; Rong, Zichao; Neumann, S. Ephraim; Sauer, Joachim; Siepmann, J. Ilja; Gagliardi, Laura; Yaghi, Omar M. 分享 收藏