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The Journal of Physical Chemistry Letters|December 6, 2017
High-Throughput Computational Screening of Multivariate Metal-Organic Frameworks (MTV-MOFs) for CO<sub>2</sub> CaptureSong Li, Yongchul G Chung, Cory M Simon, et al.
The Journal of Chemical Physics|March 16, 2026
Data-driven prediction of ionic conductivity in solid-state electrolytes with machine learning and large language modelsHaewon Kim, Taekgi Lee, Seongeun Hong, et al.
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)|July 11, 2021
Shape-Selective Ultramicroporous Carbon Membranes for Sub-0.1 nm Organic Liquid SeparationHyeokjun Seo, Sunghyun Yoon, Banseok Oh, et al.
Chemical Science|August 30, 2018
Water stabilization of Zr<sub>6</sub>-based metal-organic frameworks <i>via</i> solvent-assisted ligand incorporationPravas Deria, Yongchul G Chung, Randall Q Snurr, et al.
ACS Applied Materials & Interfaces|November 29, 2021
Microplasma Band Structure Engineering in Graphene Quantum Dots for Sensitive and Wide-Range pH SensingDarwin Kurniawan, Bai Amutha Anjali, Owen Setiawan, et al.
Advanced Materials (Deerfield Beach, Fla.)|April 15, 2024
High Hydrogen Storage in Trigonal Prismatic Monomer-Based Highly Porous Aromatic FrameworksDae Won Kim, Yu Chen, Hyunlim Kim, et al.
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)|June 9, 2021
High-Throughput Discovery of Ni(IN)<sub>2</sub> for Ethane/Ethylene SeparationMinjung Kang, Sunghyun Yoon, Seongbin Ga, et al.
ACS Applied Materials & Interfaces|October 30, 2024
Computational Exploration of Adsorption-Based Hydrogen Storage in Mg-Alkoxide Functionalized Covalent-Organic Frameworks (COFs): Force-Field and Machine Learning ModelsYu Chen, Guobin Zhao, Sunghyun Yoon, et al.
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)|May 7, 2022
Discovery of High-Performing Metal-Organic Frameworks for On-Board Methane Storage and Delivery via LNG-ANG Coupling: High-Throughput Screening, Machine Learning, and Experimental ValidationSeo-Yul Kim, Seungyun Han, Seulchan Lee, et al.
Molecular Simulation|October 4, 2019
The role of molecular modelling and simulation in the discovery and deployment of metal-organic frameworks for gas storage and separationArni Sturluson, Melanie T Huynh, Alec R Kaija, et al.
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