참고문헌 (31)

1. Moghadam, Peyman Z., Li, Aurelia, Wiggin, Seth B., Tao, Andi, Maloney, Andrew G. P., Wood, Peter A., Ward, Suzanna C., Fairen-Jimenez, David. Development of a Cambridge Structural Database Subset: A Collection of Metal–Organic Frameworks for Past, Present, and Future. Chemistry of materials : a publication of the American Chemical Society, vol.29, no.7, 2618-2625.

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2. Wilmer, Christopher E., Leaf, Michael, Lee, Chang Yeon, Farha, Omar K., Hauser, Brad G., Hupp, Joseph T., Snurr, Randall Q.. Large-scale screening of hypothetical metal？?organic frameworks. Nature chemistry, vol.4, no.2, 83-89.

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3. Gómez-Gualdrón, Diego A., Wilmer, Christopher E., Farha, Omar K., Hupp, Joseph T., Snurr, Randall Q.. Exploring the Limits of Methane Storage and Delivery in Nanoporous Materials. The journal of physical chemistry. C, Nanomaterials and Interfaces, vol.118, no.13, 6941-6951.

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4. Simon, Cory M., Kim, Jihan, Gomez-Gualdron, Diego A., Camp, Jeffrey S., Chung, Yongchul G., Martin, Richard L., Mercado, Rocio, Deem, Michael W., Gunter, Dan, Haranczyk, Maciej, Sholl, David S., Snurr, Randall Q., Smit, Berend. The materials genome in action: identifying the performance limits for methane storage. Energy & environmental science, vol.8, no.4, 1190-1199.

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5. Kim, Baekjun, Lee, Sangwon, Kim, Jihan. Inverse design of porous materials using artificial neural networks. Science advances, vol.6, no.1, eaax9324-.

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6. Lee, Sangwon, Kim, Baekjun, Kim, Jihan. Predicting performance limits of methane gas storage in zeolites with an artificial neural network. Journal of materials chemistry. A, Materials for energy and sustainability, vol.7, no.6, 2709-2716.

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7. Lin, Li-Chiang, Berger, Adam H., Martin, Richard L., Kim, Jihan, Swisher, Joseph A., Jariwala, Kuldeep, Rycroft, Chris H., Bhown, Abhoyjit S., Deem, Michael W., Haranczyk, Maciej, Smit, Berend. In silico screening of carbon-capture materials. Nature materials, vol.11, no.7, 633-641.

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8. Boyd, Peter G., Chidambaram, Arunraj, García-Díez, Enrique, Ireland, Christopher P., Daff, Thomas D., Bounds, Richard, Gładysiak, Andrzej, Schouwink, Pascal, Moosavi, Seyed Mohamad, Maroto-Valer, M. Mercedes, Reimer, Jeffrey A., Navarro, Jorge A. R., Woo, Tom K., Garcia, Susana, Stylianou, Kyriakos C., Smit, Berend. Data-driven design of metal-organic frameworks for wet flue gas CO2 capture. Nature, vol.576, no.7786, 253-256.

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9. Gómez-Gualdrón, Diego A., Colón, Yamil J., Zhang, Xu, Wang, Timothy C., Chen, Yu-Sheng, Hupp, Joseph T., Yildirim, Taner, Farha, Omar K., Zhang, Jian, Snurr, Randall Q.. Evaluating topologically diverse metal–organic frameworks for cryo-adsorbed hydrogen storage. Energy & environmental science, vol.9, no.10, 3279-3289.

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10. Ahmed, Alauddin, Seth, Saona, Purewal, Justin, Wong-Foy, Antek G., Veenstra, Mike, Matzger, Adam J., Siegel, Donald J.. Exceptional hydrogen storage achieved by screening nearly half a million metal-organic frameworks. Nature communications, vol.10, no.1, 1568-.

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11. Bao, Yi, Martin, Richard L., Simon, Cory M., Haranczyk, Maciej, Smit, Berend, Deem, Michael W.. In Silico Discovery of High Deliverable Capacity Metal-Organic Frameworks. The journal of physical chemistry. C, Nanomaterials and Interfaces, vol.119, no.1, 186-195.

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12. Collins, Sean P., Daff, Thomas D., Piotrkowski, Sarah S., Woo, Tom K.. Materials design by evolutionary optimization of functional groups in metal-organic frameworks. Science advances, vol.2, no.11, e1600954-.

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13. Zhang, Xiangyu, Zhang, Kexin, Lee, Yongjin. Machine Learning Enabled Tailor-Made Design of Application-Specific Metal-Organic Frameworks. ACS applied materials & interfaces, vol.12, no.1, 734-743.

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14. Simon, Cory M., Mercado, Rocio, Schnell, Sondre K., Smit, Berend, Haranczyk, Maciej. What Are the Best Materials To Separate a Xenon/Krypton Mixture?. Chemistry of materials : a publication of the American Chemical Society, vol.27, no.12, 4459-4475.

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15. Chung, Yongchul G., Gómez-Gualdrón, Diego A., Li, Peng, Leperi, Karson T., Deria, Pravas, Zhang, Hongda, Vermeulen, Nicolaas A., Stoddart, J. Fraser, You, Fengqi, Hupp, Joseph T., Farha, Omar K., Snurr, Randall Q.. In silico discovery of metal-organic frameworks for precombustion CO ₂ capture using a genetic algorithm. Science advances, vol.2, no.10, e1600909-.

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16. Gándara, Felipe, Furukawa, Hiroyasu, Lee, Seungkyu, Yaghi, Omar M.. High Methane Storage Capacity in Aluminum Metal–Organic Frameworks. Journal of the American Chemical Society, vol.136, no.14, 5271-5274.

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17. Zhang, Mingxing, Zhou, Wei, Pham, Tony, Forrest, Katherine A., Liu, Wenlong, He, Yabing, Wu, Hui, Yildirim, Taner, Chen, Banglin, Space, Brian, Pan, Yi, Zaworotko, Michael J., Bai, Junfeng. Fine Tuning of MOF‐505 Analogues To Reduce Low‐Pressure Methane Uptake and Enhance Methane Working Capacity. Angewandte Chemie. international edition, vol.56, no.38, 11426-11430.

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18. Martin, Richard Luis, Haranczyk, Maciej. Construction and Characterization of Structure Models of Crystalline Porous Polymers. Crystal growth & design, vol.14, no.5, 2431-2440.

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19. Addicoat, Matthew A., Coupry, Damien E., Heine, Thomas. AuToGraFS: Automatic Topological Generator for Framework Structures. The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, vol.118, no.40, 9607-9614.

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20. Boyd, Peter G., Woo, Tom K.. A generalized method for constructing hypothetical nanoporous materials of any net topology from graph theory. CrystEngComm, vol.18, no.21, 3777-3792.

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21. Colón, Yamil J., Gómez-Gualdrón, Diego A., Snurr, Randall Q.. Topologically Guided, Automated Construction of Metal–Organic Frameworks and Their Evaluation for Energy-Related Applications. Crystal growth & design, vol.17, no.11, 5801-5810.

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22. Anderson, Ryther, Gómez-Gualdrón, Diego A.. Increasing topological diversity during computational “synthesis” of porous crystals: how and why. CrystEngComm, vol.21, no.10, 1653-1665.

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23. Mikolov, T.; Chen, K.; Corrado, G.; Dean, J. Efficient Estimation of Word Representations in Vector Space, 2013; Vol. 1-12, arXiv:1301.3781. 

24. Jin, Y.. A comprehensive survey of fitness approximation in evolutionary computation. Soft computing : a fusion of foundations, methodologies and applications, vol.9, no.1, 3-12.

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25. Kim, Jihan, Smit, Berend. Efficient Monte Carlo Simulations of Gas Molecules Inside Porous Materials. Journal of chemical theory and computation, vol.8, no.7, 2336-2343.

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26. Dubbeldam, David, Calero, Sofía, Ellis, Donald E., Snurr, Randall Q.. RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials. Molecular simulation, vol.42, no.2, 81-101.

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27. Witman, Matthew, Ling, Sanliang, Jawahery, Sudi, Boyd, Peter G., Haranczyk, Maciej, Slater, Ben, Smit, Berend. The Influence of Intrinsic Framework Flexibility on Adsorption in Nanoporous Materials. Journal of the American Chemical Society, vol.139, no.15, 5547-5557.

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28. Rappe, A. K., Casewit, C. J., Colwell, K. S., Goddard III, W. A., Skiff, W. M.. UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations. Journal of the American Chemical Society, vol.114, no.25, 10024-10035.

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29. Martin, M. G., Siepmann, J. I.. Transferable Potentials for Phase Equilibria. 1. United-Atom Description of n-Alkanes. The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, vol.102, no.14, 2569-2577.

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30. Dassault Systèmes BIOVIA Materials Studio ; Dassault Systèmes BIOVIA: San Diego, 2020. 

31. Willems, Thomas F., Rycroft, Chris H., Kazi, Michaeel, Meza, Juan C., Haranczyk, Maciej. Algorithms and tools for high-throughput geometry-based analysis of crystalline porous materials. Microporous and mesoporous materials : the official journal of the International Zeolite Association, vol.149, no.1, 134-141.

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