Papers citing Machine Learning Meets with Metal Organic Frameworks for Gas Storage and Separation
A novel 3D terbium metal–organic framework as a heterogeneous Lewis acid catalyst for the cyanosilylation of aldehyde
RSC Advances · 2021
Yuqian Liu, Peiran Zhao, Chunying Duan, Cheng He
Read original paper ↗ ·Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes
The Analyst · 2021
Yoshimasa Taniguchi, Mayuka Miwa, Naoki Kitada
Read original paper ↗ ·Topological methods for analysis and design of coordination polymers
Russian Chemical Reviews · 2021
Eugeny V. Alexandrov, Alexander P. Shevchenko, Nadezhda A. Nekrasova, Vladislav A. Blatov
Read original paper ↗ ·Applied Machine Learning for Developing Next‐Generation Functional Materials
Advanced Functional Materials · 2021
Filip Dinic, Kamalpreet Singh, Tony Dong, Milad Rezazadeh, Zhibo Wang, Ali Khosrozadeh, Tiange Yuan, Oleksandr Voznyy
Read original paper ↗ ·Environmental Applications of Metal−Organic Frameworks
ACS symposium series · 2021
Atul Kumar, Suresh Kumar, Surender Duhan, Ashok Kumar, Sunita Devi, Parmod Kumar
Read original paper ↗ ·Parametrization of Nonbonded Force Field Terms for Metal–Organic Frameworks Using Machine Learning Approach
Journal of Chemical Information and Modeling · 2021
Vadim Korolev, Yuriy M. Nevolin, Thomas A. Manz, Pavel V. Protsenko
Read original paper ↗ ·Combining crystal graphs and domain knowledge in machine learning to predict metal-organic frameworks performance in methane adsorption
Microporous and Mesoporous Materials · 2021
Ruihan Wang, Yurong Zou, Chunchun Zhang, Xin Wang, Mingli Yang, Dingguo Xu
Read original paper ↗ ·A New Machine Learning Framework for Efficient MOF Discovery: Application to Hydrogen Storage
Computer-aided chemical engineering/Computer aided chemical engineering · 2022
Teng Zhou, Zihao Wang, Kai Sundmacher
Read original paper ↗ ·Application of transfer learning to predict diffusion properties in metal–organic frameworks
Molecular Systems Design & Engineering · 2022
Yunsung Lim, Jihan Kim
Read original paper ↗ ·Data mining for predicting gas diffusivity in zeolitic-imidazolate frameworks (ZIFs)
Journal of Materials Chemistry A · 2022
Panagiotis Krokidas, Stelios Karozis, Salvador Moncho, George Giannakopoulos, Edward N. Brothers, M.E. Kainourgiakis, Ioannis G. Economou, Theodore Steriotis
Read original paper ↗ ·Electrochemical activation of CO 2 by MOF-(Fe, Ni, Mn) derivatives of 5-aminoisophthalic acid and the thiazole group influence on its catalytic activity
New Journal of Chemistry · 2022
Elvis Robles‐Marín, Marcos Flores-Ãlamo, Juventino J. Garcı́a
Read original paper ↗ ·Nanochannel-based {BaZn}–organic framework for catalytic activity on the cycloaddition reaction of epoxides with CO 2 and deacetalization-Knoevenagel condensation
Dalton Transactions · 2022
Hongxiao Lv, Liming Fan, Hongtai Chen, Xiutang Zhang, Yan-Peng Gao
Read original paper ↗ ·Research progress in metal–organic frameworks (MOFs) in CO 2 capture from post-combustion coal-fired flue gas: characteristics, preparation, modification and applications
Journal of Materials Chemistry A · 2022
Zhiqiang Sun, Yiren Liao, Shilin Zhao, Xuan Zhang, Qi Liu, Xiangzhen Shi
Read original paper ↗ ·Introducing artificial MOFs for improved machine learning predictions: Identification of top-performing materials for methane storage
The Journal of Chemical Physics · 2022
George S. Fanourgakis, Konstantinos Gkagkas, George E. Froudakis
Read original paper ↗ ·Chemistry-Encoded Convolutional Neural Networks for Predicting Gaseous Adsorption in Porous Materials
The Journal of Physical Chemistry C · 2022
Ting‐Hsiang Hung, Zhi-Xun Xu, Dun‐Yen Kang, Li‐Chiang Lin
Read original paper ↗ ·Innovative Separations Research and Development Needs for Advanced Fuel Cycles
Venue not supplied by source · 2022
Bruce A. Moyer, Gregg J. Lumetta, Stephanie H. Bruffey, Sarah C. Finkeldei, Ken C. Marsden, Michael Forrest Simpson, Mark Jensen, Peter R. Zalupski, Aurora E. Clark, Ping Xiong Yang, Gregory P. Horne
Read original paper ↗ ·Identification of optimal metal-organic frameworks by machine learning: Structure decomposition, feature integration, and predictive modeling
Computers & Chemical Engineering · 2022
Zihao Wang, Yageng Zhou, Teng Zhou, Kai Sundmacher
Read original paper ↗ ·Importance of Crystalline and Microporous Structures of MOFs for Application to Petrochemical and Related Processes
Journal of the Japan Petroleum Institute · 2022
Takanori Miyake, Makoto SANO
Read original paper ↗ ·A nanocaged cadmium-organic framework with high catalytic activity on the chemical fixation of CO2 and deacetalization-knoevenagel condensation
Microporous and Mesoporous Materials · 2022
Hongxiao Lv, Zhengguo Zhang, Liming Fan, Yan-Peng Gao, Xiutang Zhang
Read original paper ↗ ·Accelerated discovery of porous materials for carbon capture by machine learning: A review
MRS Bulletin · 2022
Chi Zhang, Yunchao Xie, Chen Xie, Hongxing Dong, Long Zhang, Jian Lin
Read original paper ↗ ·Graph neural network predictions of metal organic framework CO 2 adsorption properties
Computational Materials Science · 2022
Kamal Kumar Choudhary, Taner Yildirim, Daniel W. Siderius, Aaron Gilad Kusne, Austin McDannald, Diana L. Ortiz‐Montalvo
Read original paper ↗ ·Metal–Organic Framework-Based Materials for Adsorption and Detection of Uranium(VI) from Aqueous Solution
ACS Omega · 2022
Hongjuan Liu, Tianyu Fu, Yuanbing Mao
Read original paper ↗ ·High-throughput predictions of metal–organic framework electronic properties: theoretical challenges, graph neural networks, and data exploration
npj Computational Materials · 2022
Andrew Rosen, Victor Fung, Patrick Huck, Cody T. O’Donnell, Matthew K. Horton, Donald G. Truhlar, Kristin Aslaug Persson, Justin M. Notestein, Randall Q. Snurr
Read original paper ↗ ·Integrated metal‐organic framework ( MOF ) and pressure/vacuum swing adsorption process design: MOF matching
AIChE Journal · 2022
Xiang Zhang, Teng Zhou, Kai Sundmacher
Read original paper ↗ ·Systematic Exploration of a Catalytic Metal–Organic Framework/Polyurethane Composite for Medical Device Applications: Effects of MOF Particle Size, MOF Loading, and Polymer Concentration on Composite Material Activity
Frontiers in Physics · 2022
Alyssa C. Melvin, Melissa M. Reynolds
Read original paper ↗ ·A neural recommender system for efficient adsorbent screening
Chemical Engineering Science · 2022
Xiang Zhang, Sahil Sethi, Zihao Wang, Teng Zhou, Zhiwen Qi, Kai Sundmacher
Read original paper ↗ ·Application of Fiber Biochar–MOF Matrix Composites in Electrochemical Energy Storage
Polymers · 2022
Meixiang Gao, Meng Lu, Xia Zhang, Zhenhui Luo, Jiaqi Xiao
Read original paper ↗ ·Superhydrophobic Self-Cleaning Composite of a Metal–Organic Framework with Polypropylene Fabric for Efficient Removal of Oils from Oil–Water Mixtures and Emulsions
ACS Applied Nano Materials · 2022
Chiranjib Gogoi, Abhijeet Rana, Subhrajyoti Ghosh, Rushikesh Fopase, Lalit Mohan Pandey, Shyam Biswas
Read original paper ↗ ·Synthesis and Shaping of Functionalized Microporous Materials for the Catalytic Transformation of Monosaccharides
Venue not supplied by source · 2022
Bakytzhan Yeskendir
Read original paper ↗ ·Recent Advances in the Development of Metal–Organic Frameworks for Propylene and Propane Separation
Energy & Fuels · 2022
Qi Ding, Sui Zhang
Read original paper ↗ ·Combining Machine Learning and Molecular Simulations to Unlock Gas Separation Potentials of MOF Membranes and MOF/Polymer MMMs
ACS Applied Materials & Interfaces · 2022
Hilal Daglar, Seda Keskın
Read original paper ↗ ·X-ray Diffraction and Molecular Simulations in the Study of Metal–Organic Frameworks for Membrane Gas Separation
Langmuir · 2022
Dun‐Yen Kang, Jong Suk Lee, Li‐Chiang Lin
Read original paper ↗ ·Machine-learning-based prediction of hydrogen adsorption capacity at varied temperatures and pressures for MOFs adsorbents
Journal of the Taiwan Institute of Chemical Engineers · 2022
Xuan Zhang, Qing-Rong Zheng, Hongzhou He
Read original paper ↗ ·Titanium‐based metal‐organic framework MIL‐125(Ti) for the highly selective isolation and purification of immunoglobulin G from human serum
Journal of Separation Science · 2022
Zixin Chi, Xi Wu, Qiqi Zhang, Fengyang Zhai, Zesheng Xu, Dandan Zhang, Qing Chen
Read original paper ↗ ·MOF‐Based Chemiresistive Gas Sensors: Toward New Functionalities
Advanced Materials · 2022
Young‐Moo Jo, Young‐Moo Jo, Yong Kun Jo, Yong Kun Jo, Jong‐Heun Lee, Ho Won Jang, Insung Hwang, Do Joon Yoo
Read original paper ↗ ·GCMC and electronic evaluation of pesticide capture by IRMOF systems
Journal of Molecular Modeling · 2022
Nailton Martins Rodrigues, Matheus Figueiredo de Souza, José R. S. Politi, João B. L. Martins
Read original paper ↗ ·Reproducible sorbent materials foundry for carbon capture at scale
Cell Reports Physical Science · 2022
Austin McDannald, Howie Joress, Brian DeCost, Avery E. Baumann, Aaron Gilad Kusne, Kamal Kumar Choudhary, Taner Yildirim, Daniel W. Siderius, Winnie Wong-Ng, Andrew John Allen, Christopher M. Stafford, Diana L. Ortiz‐Montalvo
Read original paper ↗ ·Deep Learning Models for Predicting Gas Adsorption Capacity of Nanomaterials
Nanomaterials · 2022
Wenjing Guo, Jie Liu, Fan Dong, Ru Chen, Jayanti Das, Weigong Ge, Xiaoming Xu, Huixiao Hong
Read original paper ↗ ·Computational discovery of Metal–Organic Frameworks for sustainable energy systems: Open challenges
Computers & Chemical Engineering · 2022
Xiangyu Yin, Chrysanthos E. Gounaris
Read original paper ↗ ·MOFTransformer: A Multi-modal Pre-training Transformer for Universal Transfer Learning in Metal-Organic Frameworks
ChemRxiv · 2022
Yeonghun Kang, Hyunsoo Park, Berend Smit, Jihan Kim
Read original paper ↗ ·Engineering a Series of Isoreticular Pillared Layer Ultramicroporous MOFs for Gas and Vapor Uptake
Inorganic Chemistry · 2022
Xiu‐Yuan Li, Hai-Yu Duan, Chaozheng He
Read original paper ↗ ·Evaluation and screening of porous materials containing fluorine for carbon dioxide capture and separation
Computational Materials Science · 2022
Junpeng Yuan, Xiuying Liu, Hui Wang, Xiaodong Li
Read original paper ↗ ·Machine Learning in the Development of Adsorbents for Clean Energy Application and Greenhouse Gas Capture
Advanced Science · 2022
Haoxin Mai, Tu C. Le, Dehong Chen, David Alan Winkler, Rachel A. Caruso
Read original paper ↗ ·A Self-Evolutionary Methodology for Reverse Design of Novel MOFs
The Journal of Physical Chemistry A · 2022
Tongan Yan, Zhiyuan Bi, Dahuan Liu, Xiaonan Zhang, Gang Lu, Qingyuan Yang
Read original paper ↗ ·Uncovering the optimal pyrolysis temperature of NH2-MIL-88B-derived FeOX/Fe@porous carbon composites for the ultrasensitive electrochemical detection of baicalin in natural plant samples
Carbon · 2022
Jiao Li, Yuefan Wang, Chenxi Wang, Yilin Wang, Yaqi Yang, Jia Chen, Chunyan Li, Yixi Xie, Pengcheng Zhao, Junjie Fei
Read original paper ↗ ·A Novel Instantaneous Self-Assembled Hollow MOF-Derived Nanodrug for Microwave Thermo-Chemotherapy in Triple-Negative Breast Cancer
ACS Applied Materials & Interfaces · 2022
Qiong Wu, Ting Li, Jingjing Song, Xiaohan Sun, Xiangling Ren, Changhui Fu, Lufeng Chen, Longfei Tan, Meng Niu, Xianwei Meng
Read original paper ↗ ·Connecting the dots for fundamental understanding of structure–photophysics–property relationships of COFs, MOFs, and perovskites using a Multiparticle Holstein Formalism
Chemical Science · 2022
Raja Ghosh, Francesco Paesani
Read original paper ↗ ·A Doubly Interpenetrated Cu(II)‐based Metal‐Organic Framework as a Heterogeneous Catalyst for the ipso‐Hydroxylation of Arylboronic Acids
European Journal of Inorganic Chemistry · 2022
Pooja Rani, Heena, Niharika Pundir, Gauri, Ahmad Husain, K.K. Bhasin, Girijesh Kumar
Read original paper ↗ ·A State-of-the-Art of Metal-Organic Frameworks for Chromium Photoreduction vs. Photocatalytic Water Remediation
Nanomaterials · 2022
Andreína García, Bárbara Rodríguez, Maibelín Rosales, Yurieth Marcela Quintero, Paula G. Saiz, Ander Reizabal, Stefan Wuttke, Leire Celaya-Azcoaga, Ainara Valverde, Roberto Fernández de Luis
Read original paper ↗ ·Multi-Scale Computer-Aided Design of Covalent Organic Frameworks for CO 2 Capture in Wet Flue Gas
ACS Applied Materials & Interfaces · 2022
Shuna Yang, Weichen Zhu, Linbin Zhu, Xue Ma, Tongan Yan, Nengcui Gu, Youshi Lan, Yi Huang, Mingyuan Yuan, Minman Tong
Read original paper ↗ ·