Browse "Dept. of Chemical and Biomolecular Engineering(생명화학공학과)" by Author Smit, Berend
Showing results 1 to 23 of 23
| A multi-modal pre-training transformer for universal transfer learning in metal-organic frameworks Kang, Yeonghun; Park, Hyunsoo; Smit, Berend; Kim, Jihan, NATURE MACHINE INTELLIGENCE, v.5, no.3, pp.309 - 318, 2023-03 |
| Ab initio carbon capture in open-site metal-organic frameworks Dzubak, Allison L.; Lin, Li-Chiang; Kim, Jihan; Swisher, Joseph A.; Poloni, Roberta; Maximoff, Sergey N.; Smit, Berend; et al, NATURE CHEMISTRY, v.4, no.10, pp.810 - 816, 2012-10 |
| CO2 Adsorption in Fe-2(dobdc): A Classical Force Field Parameterized from Quantum Mechanical Calculations Borycz, Joshua; Lin, Li-Chiang; Bloch, Eric D.; Kim, Jihan; Dzubak, Allison L.; Maurice, Remi; Semrouni, David; et al, JOURNAL OF PHYSICAL CHEMISTRY C, v.118, no.23, pp.12230 - 12240, 2014-06 |
| Efficient Determination of Accurate Force Fields for Porous Materials Using ab Initio Total Energy Calculations Kim, Jihan; Lin, Li-Chiang; Lee, Kyuho; Neaton, Jeffrey B.; Smit, Berend, JOURNAL OF PHYSICAL CHEMISTRY C, v.118, no.5, pp.2693 - 2701, 2014-02 |
| Efficient Monte Carlo Simulations of Gas Molecules Inside Porous Materials Kim, Jihan; Smit, Berend, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.8, no.7, pp.2336 - 2343, 2012-07 |
| Evaluating mixture adsorption models using molecular simulation Swisher, Joseph A.; Lin, Li-Chiang; Kim, Jihan; Smit, Berend, AICHE JOURNAL, v.59, no.8, pp.3054 - 3064, 2013-08 |
| High-throughput computational screening of nanoporous adsorbents for CO2 capture from natural gas Braun, Efrem; Zurhelle, Alexander F.; Thijssen, Wouter; Schnell, Sondre K.; Lin, Li-Chiang; Kim, Jihan; Thompson, Joshua A.; et al, MOLECULAR SYSTEMS DESIGN & ENGINEERING, v.1, no.2, pp.175 - 188, 2016 |
| In silico screening of carbon-capture materials Lin, Li-Chiang; Berger, Adam H.; Martin, Richard L.; Kim, Jihan; Swisher, Joseph A.; Jariwala, Kuldeep; Rycroft, Chris H.; et al, NATURE MATERIALS, v.11, no.7, pp.633 - 641, 2012-07 |
| Inverse design of metal-organic frameworks for direct air capture of CO2via deep reinforcement learning Park, Hyunsoo; Majumdar, Sauradeep; Zhang, Xiaoqi; Kim, Jihan; Smit, Berend, Digital Discovery, v.3, no.4, pp.728 - 741, 2024-03 |
| Large-Scale Computational Screening of Zeolites for Ethane/Ethene Separation Kim, Jihan; Lin, Li-Chiang; Martin, Richard L.; Swisher, Joseph A.; Haranczyk, Maciej; Smit, Berend, LANGMUIR, v.28, no.32, pp.11923 - 11928, 2012-08 |
| Large-Scale Screening of Zeolite Structures for CO2 Membrane Separations Kim, Jihan; Abouelnasr, Mahmoud; Lin, Li-Chiang; Smit, Berend, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.135, no.20, pp.7545 - 7552, 2013-05 |
| Mapping of Functional Groups in Metal-Organic Frameworks Kong, Xueqian; Deng, Hexiang; Yan, Fangyong; Kim, Jihan; Swisher, Joseph A.; Smit, Berend; Yaghi, Omar M.; et al, SCIENCE, v.341, no.6148, pp.882 - 885, 2013-08 |
Materials Genome in Action: Identifying the Performance Limits of Physical Hydrogen Storage Thornton, Aaron W.; Simon, Cory M.; Kim, Jihan; Kwon, Ohmin; Deeg, Kathryn S.; Konstas, Kristina; Pas, Steven J.; et al, CHEMISTRY OF MATERIALS, v.29, no.7, pp.2844 - 2854, 2017-04 |
| Molecular Monte Carlo Simulations Using Graphics Processing Units: To Waste Recycle or Not? Kim, Jihan; Rodgers, Jocelyn M.; Athenes, Manuel; Smit, Berend, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.7, no.10, pp.3208 - 3222, 2011-10 |
| New materials for methane capture from dilute and medium-concentration sources Kim, Jihan; Maiti, Amitesh; Lin, Li-Chiang; Stolaroff, Joshuah K.; Smit, Berend; Aines, Roger D., NATURE COMMUNICATIONS, v.4, 2013-04 |
| Optimizing nanoporous materials for gas storage Simon, Cory M.; Kim, Jihan; Lin, Li-Chiang; Martin, Richard L.; Haranczyk, Maciej; Smit, Berend, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.16, no.12, pp.5499 - 5513, 2014 |
| Predicting Large CO2 Adsorption in Aluminosilicate Zeolites for Postcombustion Carbon Dioxide Capture Kim, Jihan; Lin, Li-Chiang; Swisher, Joseph A.; Haranczyk, Maciej; Smit, Berend, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.134, no.46, pp.18940 - 18943, 2012-11 |
| Similarity-Driven Discovery of Zeolite Materials for Adsorption-Based Separations Martin, Richard L.; Willems, Thomas F.; Lin, Li-Chiang; Kim, Jihan; Swisher, Joseph A.; Smit, Berend; Haranczyk, Maciej, CHEMPHYSCHEM, v.13, no.16, pp.3595 - 3597, 2012-11 |
| Text Mining Metal-Organic Framework Papers Park, Sanghoon; Kim, Baekjun; Choi, Sihoon; Boyd, Peter G.; Smit, Berend; Kim, Jihan, JOURNAL OF CHEMICAL INFORMATION AND MODELING, v.58, no.2, pp.244 - 251, 2018-02 |
| Text Mining Metal-Organic Framework Papers 박상훈; 김지한; 최시훈; Boyd, Peter; Smit, Berend, 한국화학공학회 2017년도 가을 총회 및 학술대회, 한국화학공학회, 2017-10-27 |
| The materials genome in action: identifying the performance limits for methane storage Simon, Cory M.; Kim, Jihan; Gomez-Gualdron, Diego A.; Camp, Jeffrey S.; Chung, Yongchul G.; Martin, Richard L.; Mercado, Rocio; et al, ENERGY & ENVIRONMENTAL SCIENCE, v.8, no.4, pp.1190 - 1199, 2015-04 |
| Understanding CO2 Dynamics in Metal-Organic Frameworks with Open Metal Sites Lin, Li-Chiang; Kim, Jihan; Kong, Xueqian; Scott, Eric; McDonald, Thomas M.; Long, Jeffrey R.; Reimer, Jeffrey A.; et al, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, v.52, no.16, pp.4410 - 4413, 2013 |
| Understanding the effect of side groups in ionic liquids on carbon-capture properties: a combined experimental and theoretical effort Yan, Fangyong; Lartey, Michael; Damodaran, Krishnan; Albenze, Erik; Thompson, Robert L.; Kim, Jihan; Haranczyk, Maciej; et al, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.15, no.9, pp.3264 - 3272, 2013 |
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