publications

2025

1. 

   Tuning Pore Chemistry of Metal–Organic Frameworks Using Anionic Pillars for Humid-Tolerant CO2 Capture

   Yunsung Lim, Woohyun Jeong, Howoun Jung, and 4 more authors

   Chemistry of Materials, 2025

   Bib

   @article{lim2025tuning,
     title = {Tuning Pore Chemistry of Metal--Organic Frameworks Using Anionic Pillars for Humid-Tolerant CO2 Capture},
     author = {Lim, Yunsung and Jeong, Woohyun and Jung, Howoun and Choi, Hye Leen and Bae, Tae-Hyun and Lee, Jay H and Kim, Jihan},
     journal = {Chemistry of Materials},
     year = {2025},
     publisher = {ACS Publications},
   }

2. Enabling Weather-Independent Gas Detection through Deep Learning on Light-Activated Sensors

   Kichul Lee, Minhyun Kim, Yeongjae Kwon, and 8 more authors

   ACS nano, 2025

   Bib

   @article{Lee2025Enabling,
     title = {Enabling Weather-Independent Gas Detection through Deep Learning on Light-Activated Sensors},
     author = {Lee, Kichul and Kim, Minhyun and Kwon, Yeongjae and Park, Seyeon and Lim, Yunsung and Kwak, Donghyuk and Jeong, Jaeseok and Kim, Baul and Ahn, Jaewan and Kim, Jihan and others},
     journal = {ACS nano},
     issn = {1936-0851},
     year = {2025},
     publisher = {ACS Publications},
     url = {https://pubs.acs.org/doi/full/10.1021/acsnano.5c10308},
   }

3. MLIP Arena: Advancing Fairness and Transparency in Machine Learning Interatomic Potentials via an Open, Accessible Benchmark Platform

   Yuan Chiang, Tobias Kreiman, Christine Zhang, and 8 more authors

   arXiv preprint arXiv:2509.20630, 2025

   Bib

   @article{chiang2025mlip,
     title = {MLIP Arena: Advancing Fairness and Transparency in Machine Learning Interatomic Potentials via an Open, Accessible Benchmark Platform},
     author = {Chiang, Yuan and Kreiman, Tobias and Zhang, Christine and Kuner, Matthew C and Weaver, Elizabeth and Amin, Ishan and Park, Hyunsoo and Lim, Yunsung and Kim, Jihan and Chrzan, Daryl and others},
     journal = {arXiv preprint arXiv:2509.20630},
     year = {2025},
   }

4. 

   Accelerating CO2 direct air capture screening for metal-organic frameworks with a transferable machine learning force field

   Yunsung Lim, Hyunsoo Park, Aron Walsh, and 1 more author

   Matter, Jun 2025

   DOI Bib

   @article{Lim2025Accelerating,
     author = {Lim, Yunsung and Park, Hyunsoo and Walsh, Aron and Kim, Jihan},
     journal = {Matter},
     doi = {10.1016/j.matt.2025.102203},
     issn = {2590-2385},
     year = {2025},
     month = jun,
     pages = {102203},
     publisher = {Elsevier BV},
     title = {Accelerating {CO2} direct air capture screening for metal-organic frameworks with a transferable machine learning force field},
     url = {http://dx.doi.org/10.1016/j.matt.2025.102203},
   }

5. Refining a Generic Force Field for Predicting Phase Transitions in Wine-Rack Metal–Organic Frameworks

   Dohoon Kim, Yunsung Lim, and Jihan Kim

   Journal of Chemical Theory and Computation, May 2025

   DOI Bib

   @article{Kim2025Refining,
     author = {Kim, Dohoon and Lim, Yunsung and Kim, Jihan},
     journal = {Journal of Chemical Theory and Computation},
     doi = {10.1021/acs.jctc.5c00641},
     issn = {1549-9618},
     number = {11},
     year = {2025},
     date = {2025-05-23},
     month = may,
     day = {23},
     pages = {5599--5607},
     publisher = {American Chemical Society (ACS)},
     title = {Refining a {Generic} {Force} {Field} for {Predicting} {Phase} {Transitions} in {Wine}-{Rack} {Metal}--{Organic} {Frameworks}},
     url = {http://dx.doi.org/10.1021/acs.jctc.5c00641},
     volume = {21},
   }

2024

1. From Data to Discovery: Recent Trends of Machine Learning in Metal–Organic Frameworks

   Junkil Park, Honghui Kim, Yeonghun Kang, and 2 more authors

   JACS Au, Sep 2024

   DOI Bib

   @article{Park2024From,
     journal = {JACS Au},
     doi = {10.1021/jacsau.4c00618},
     issn = {2691-3704},
     number = {10},
     language = {en},
     publisher = {American Chemical Society (ACS)},
     title = {From Data to Discovery: Recent Trends of Machine Learning in Metal–Organic Frameworks},
     url = {http://dx.doi.org/10.1021/jacsau.4c00618},
     volume = {4},
     author = {Park, Junkil and Kim, Honghui and Kang, Yeonghun and Lim, Yunsung and Kim, Jihan},
     pages = {3727--3743},
     date = {2024-09-12},
     year = {2024},
     month = sep,
     day = {12},
   }

2. 

   Data-Driven Design of Flexible Metal–Organic Frameworks for Gas Storage

   Yunsung Lim, Baekjun Kim, and Jihan Kim

   Chemistry of Materials, May 2024

   DOI Bib

   @article{Lim2024Data,
     journal = {Chemistry of Materials},
     doi = {10.1021/acs.chemmater.4c00398},
     issn = {0897-4756},
     number = {11},
     language = {en},
     publisher = {American Chemical Society (ACS)},
     title = {Data-Driven Design of Flexible Metal–Organic Frameworks for Gas Storage},
     url = {http://dx.doi.org/10.1021/acs.chemmater.4c00398},
     volume = {36},
     author = {Lim, Yunsung and Kim, Baekjun and Kim, Jihan},
     pages = {5465--5473},
     date = {2024-05-22},
     year = {2024},
     month = may,
     day = {22},
   }

3. 

   Dual‐Photosensitizer Synergy Empowers Ambient Light Photoactivation of Indium Oxide for High‐Performance NO2 Sensing

   Seyeon Park, Minhyun Kim, Yunsung Lim, and 7 more authors

   Advanced Materials, Mar 2024

   DOI Bib

   @article{Park2024DualPhotosensitizer,
     journal = {Advanced Materials},
     doi = {10.1002/adma.202313731},
     issn = {0935-9648},
     number = {24},
     language = {en},
     publisher = {Wiley},
     title = {Dual‐Photosensitizer Synergy Empowers Ambient Light Photoactivation of Indium Oxide for High‐Performance NO2 Sensing},
     url = {http://dx.doi.org/10.1002/adma.202313731},
     volume = {36},
     author = {Park, Seyeon and Kim, Minhyun and Lim, Yunsung and Oh, DongHwan and Ahn, Jaewan and Park, Chungseong and Woo, Sungyoon and Jung, WooChul and Kim, Jihan and Kim, Il‐Doo},
     date = {2024-03-10},
     year = {2024},
     month = mar,
     day = {10},
   }

2023

1. 

   Breathable MOFs Layer on Atomically Grown 2D SnS2 for Stable and Selective Surface Activation

   Gwang Su Kim, Yunsung Lim, Joonchul Shin, and 8 more authors

   Advanced Science, Apr 2023

   DOI Bib

   @article{Kim2023Breathable,
     journal = {Advanced Science},
     doi = {10.1002/advs.202301002},
     issn = {2198-3844},
     number = {17},
     language = {en},
     publisher = {Wiley},
     title = {Breathable MOFs Layer on Atomically Grown 2D SnS2 for Stable and Selective Surface Activation},
     url = {http://dx.doi.org/10.1002/advs.202301002},
     volume = {10},
     author = {Kim, Gwang Su and Lim, Yunsung and Shin, Joonchul and Yim, Jaegyun and Hur, Sunghoon and Song, Hyun‐Cheol and Baek, Seung‐Hyub and Kim, Seong Keun and Kim, Jihan and Kang, Chong‐Yun and Jang, Ji‐Soo},
     date = {2023-04-21},
     year = {2023},
     month = apr,
     day = {21},
   }

2. 

   Rapid Joule Heating Synthesis of Oxide-Socketed High-Entropy Alloy Nanoparticles as CO2 Conversion Catalysts

   Jaewan Ahn, Seyeon Park, DongHwan Oh, and 5 more authors

   ACS Nano, May 2023

   DOI Bib

   @article{Ahn2023Rapid,
     journal = {ACS Nano},
     doi = {10.1021/acsnano.3c00443},
     issn = {1936-0851},
     number = {13},
     language = {en},
     publisher = {American Chemical Society (ACS)},
     title = {Rapid Joule Heating Synthesis of Oxide-Socketed High-Entropy Alloy Nanoparticles as CO2 Conversion Catalysts},
     url = {http://dx.doi.org/10.1021/acsnano.3c00443},
     volume = {17},
     author = {Ahn, Jaewan and Park, Seyeon and Oh, DongHwan and Lim, Yunsung and Nam, Jong Seok and Kim, Jihan and Jung, WooChul and Kim, Il-Doo},
     pages = {12188--12199},
     date = {2023-05-25},
     year = {2023},
     month = may,
     day = {25},
   }

3. Atomically mixed catalysts on a 3D thin-shell TiO2 for dual-modal chemical detection and neutralization

   Joonchul Shin, Geonhee Lee, Myungwoo Choi, and 12 more authors

   Journal of Materials Chemistry A, May 2023

   DOI Bib

   @article{Shin2023Atomically,
     journal = {Journal of Materials Chemistry A},
     doi = {10.1039/d3ta02160b},
     issn = {2050-7488},
     number = {34},
     language = {en},
     publisher = {Royal Society of Chemistry (RSC)},
     title = {Atomically mixed catalysts on a 3D thin-shell TiO2 for dual-modal chemical detection and neutralization},
     url = {http://dx.doi.org/10.1039/D3TA02160B},
     volume = {11},
     author = {Shin, Joonchul and Lee, Geonhee and Choi, Myungwoo and Jang, Huiwon and Lim, Yunsung and Kim, Gwang-Su and Nam, Sang-Hyeon and Baek, Seung-Hyub and Song, Hyun-Cheol and Kim, Jihan and Kang, Chong-Yun and Lee, Jeong-O. and Jeon, Seokwoo and Cho, Donghwi and Jang, Ji-Soo},
     pages = {18195--18206},
     date = {2023},
     year = {2023},
   }

4. Steering selectivity in the detection of exhaled biomarkers over oxide nanofibers dispersed with noble metals

   Seyeon Park, Yunsung Lim, DongHwan Oh, and 6 more authors

   Journal of Materials Chemistry A, May 2023

   DOI Bib

   @article{Park2023Steering,
     journal = {Journal of Materials Chemistry A},
     doi = {10.1039/d2ta07226b},
     issn = {2050-7488},
     number = {7},
     language = {en},
     publisher = {Royal Society of Chemistry (RSC)},
     title = {Steering selectivity in the detection of exhaled biomarkers over oxide nanofibers dispersed with noble metals},
     url = {http://dx.doi.org/10.1039/D2TA07226B},
     volume = {11},
     author = {Park, Seyeon and Lim, Yunsung and Oh, DongHwan and Ahn, Jaewan and Park, Chungseong and Kim, Minhyun and Jung, WooChul and Kim, Jihan and Kim, Il-Doo},
     pages = {3535--3545},
     date = {2023},
     year = {2023},
   }

2022

1. 

   Bidirectional Water‐Stream Behavior on a Multifunctional Membrane for Simultaneous Energy Generation and Water Purification

   Ji‐Soo Jang, Yunsung Lim, Hamin Shin, and 2 more authors

   Advanced Materials, Dec 2022

   DOI Bib

   @article{Jang2022Bidirectional,
     journal = {Advanced Materials},
     doi = {10.1002/adma.202209076},
     issn = {0935-9648},
     number = {7},
     language = {en},
     publisher = {Wiley},
     title = {Bidirectional Water‐Stream Behavior on a Multifunctional Membrane for Simultaneous Energy Generation and Water Purification},
     url = {http://dx.doi.org/10.1002/adma.202209076},
     volume = {35},
     author = {Jang, Ji‐Soo and Lim, Yunsung and Shin, Hamin and Kim, Jihan and Yun, Tae Gwang},
     date = {2022-12-26},
     year = {2022},
     month = dec,
     day = {26},
   }

2. Computational Design of Metal–Organic Frameworks with Unprecedented High Hydrogen Working Capacity and High Synthesizability

   Junkil Park, Yunsung Lim, Sangwon Lee, and 1 more author

   Chemistry of Materials, Dec 2022

   DOI Bib

   @article{Park2022Computational,
     journal = {Chemistry of Materials},
     doi = {10.1021/acs.chemmater.2c01822},
     issn = {0897-4756},
     number = {1},
     language = {en},
     publisher = {American Chemical Society (ACS)},
     title = {Computational Design of Metal–Organic Frameworks with Unprecedented High Hydrogen Working Capacity and High Synthesizability},
     url = {http://dx.doi.org/10.1021/acs.chemmater.2c01822},
     volume = {35},
     author = {Park, Junkil and Lim, Yunsung and Lee, Sangwon and Kim, Jihan},
     pages = {9--16},
     date = {2022-12-23},
     year = {2022},
     month = dec,
     day = {23},
   }

3. 

   Application of transfer learning to predict diffusion properties in metal–organic frameworks

   Yunsung Lim, and Jihan Kim

   Molecular Systems Design & Engineering, Dec 2022

   DOI Bib

   @article{Lim_Kim_2022,
     title = {Application of transfer learning to predict diffusion properties in metal–organic frameworks},
     volume = {7},
     doi = {10.1039/d2me00082b},
     number = {9},
     journal = {Molecular Systems Design & Engineering},
     author = {Lim, Yunsung and Kim, Jihan},
     year = {2022},
     pages = {1056–1064},
   }

2021

1. 

   Finely tuned inverse design of metal–organic frameworks with user-desired Xe/Kr selectivity

   Yunsung Lim, Junkil Park, Sangwon Lee, and 1 more author

   Journal of Materials Chemistry A, Dec 2021

   DOI Bib

   @article{Lim2021Finely,
     journal = {Journal of Materials Chemistry A},
     doi = {10.1039/d1ta03129e},
     issn = {2050-7488},
     number = {37},
     language = {en},
     publisher = {Royal Society of Chemistry (RSC)},
     title = {Finely tuned inverse design of metal–organic frameworks with user-desired Xe/Kr selectivity},
     url = {http://dx.doi.org/10.1039/D1TA03129E},
     volume = {9},
     author = {Lim, Yunsung and Park, Junkil and Lee, Sangwon and Kim, Jihan},
     pages = {21175--21183},
     date = {2021},
     year = {2021},
   }