Papers citing Materials design by evolutionary optimization of functional groups in metal-organic frameworks
Exceptionally stable Bakelite-type polymers for efficient pre-combustion CO 2 capture and H 2 purification
Journal of Materials Chemistry A · 2017
Shyamapada Nandi, Jens Rother, Debanjan Chakraborty, Rahul Maity, Ulrike Werner‐Zwanziger, Ramanathan Vaidhyanathan
Read original paper ↗ ·Metal–organic frameworks meet scalable and sustainable synthesis
Green Chemistry · 2017
Patrick Julien, Cristina Mottillo, Tomislav Friščić
Read original paper ↗ ·Partially Interpenetrated NbO Topology Metal–Organic Framework Exhibiting Selective Gas Adsorption
Crystal Growth & Design · 2017
Gaurav Verma, Sanjay Kumar, Tony Pham, Zheng Niu, Łukasz Wojtas, Jason A. Perman, Yu‐Sheng Chen, Shengqian Ma
Read original paper ↗ ·A mechanistic approach towards the photocatalytic organic transformations over functionalised metal organic frameworks: a review
Catalysis Science & Technology · 2017
Satyabrata Subudhi, Dharitri Rath, Kulamani M. Parida
Read original paper ↗ ·Computational evaluation of metal pentazolate frameworks: inorganic analogues of azolate metal–organic frameworks
Chemical Science · 2018
Mihails Arhangelskis, Athanassios D. Katsenis, Andrew J. Morris, Tomislav Friščić
Read original paper ↗ ·Microporous mixed-metal mixed-ligand metal organic framework for selective CO 2 capture
CrystEngComm · 2018
Rahul Maity, Debanjan Chakraborty, Shyamapada Nandi, Rinku Kushwaha, Ramanathan Vaidhyanathan
Read original paper ↗ ·Preferential Adsorption of CO2 in an Ultramicroporous MOF with Cavities Lined by Basic Groups and Open-Metal Sites
Inorganic Chemistry · 2018
Shyamapada Nandi, Rahul Maity, Debanjan Chakraborty, Hemkalyan Ballav, Ramanathan Vaidhyanathan
Read original paper ↗ ·CO2 adsorption performance of functionalized metal-organic frameworks of varying topologies by molecular simulations
Chemical Engineering Science · 2018
Wei Hao Li, Song Li
Read original paper ↗ ·In Silico Screening of MOFs with open copper sites for C2H2/CO2 separation
AIChE Journal · 2018
Ce Zhang, Lei Wang, Guillaume Maurin, Qingyuan Yang
Read original paper ↗ ·Role of Pore Chemistry and Topology in the CO 2 Capture Capabilities of MOFs: From Molecular Simulation to Machine Learning
Chemistry of Materials · 2018
Ryther Anderson, Jacob Rodgers, Edwin Argueta, Achay Biong, Diego A. Gómez‐Gualdrón
Read original paper ↗ ·Ligands-Coordinated Zr-Based MOF for Wastewater Treatment
Nanomaterials · 2018
Xue-Qing Zhan, Fang‐Chang Tsai, Lei Xie, Ke-Deng Zhang, Huanli Liu, Ning Ma, Dean Shi, Tao Jiang
Read original paper ↗ ·Materials genomics methods for high-throughput construction of COFs and targeted synthesis
Nature Communications · 2018
Youshi Lan, Xianghao Han, Minman Tong, Hongliang Huang, Qingyuan Yang, Dahuan Liu, Xin Zhao, Chongli Zhong
Read original paper ↗ ·Large-scale computational assembly of ionic liquid/MOF composites: synergistic effect in the wire-tube conformation for efficient CO 2 /CH 4 separation
Journal of Materials Chemistry A · 2019
Youshi Lan, Tongan Yan, Minman Tong, Chongli Zhong
Read original paper ↗ ·The inverse design of structural color using machine learning
Nanoscale · 2019
Zhao Huang, Xin Liu, Jianfeng Zang
Read original paper ↗ ·Universal Scaling Law for Methane Capture Quantity in Metal–Organic Frameworks
Advanced Theory and Simulations · 2019
Haoxiang Lin, Shuhong Cai, Xi Zhu
Read original paper ↗ ·Materials‐Informatics‐Assisted High‐Yield Synthesis of 2D Nanomaterials through Exfoliation
Advanced Theory and Simulations · 2019
Gentoku Nakada, Yasuhiko Igarashi, Hiroaki Imai, Yuya Oaki
Read original paper ↗ ·Computational screening of metal−organic frameworks for CO2 separation
Current Opinion in Green and Sustainable Chemistry · 2019
Jianwen Jiang
Read original paper ↗ ·The Role of Molecular Modeling & Simulation in the Discovery and Deployment of Metal-Organic Frameworks for Gas Storage and Separation
ChemRxiv · 2019
Árni Sturluson, Melanie T. Huynh, Alec R. Kaija, Caleb Laird, Sunghyun Yoon, Feier Hou, Zhenxing Feng, Christopher E. Wilmer, Yamil J. Colón, Yongchul G. Chung, Daniel W. Siderius, Cory M. Simon
Read original paper ↗ ·Performance of biologically inspired algorithms tuned on TiO2 nanoparticle benchmark system
Computational Materials Science · 2019
Eric J. Inclan, Mina Yoon
Read original paper ↗ ·Theoretical Prediction and Experimental Evaluation of Topological Landscape and Thermodynamic Stability of a Fluorinated Zeolitic Imidazolate Framework
Chemistry of Materials · 2019
Mihails Arhangelskis, Athanassios D. Katsenis, Novendra Novendra, Zamirbek Akimbekov, Gandrath Dayaker, Joseph M. Marrett, Ghada Ayoub, Andrew J. Morris, Omar K. Farha, Tomislav Friščić, Alexandra Navrotsky
Read original paper ↗ ·Strategies for Overcoming Defects of HKUST‐1 and Its Relevant Applications
Advanced Materials Interfaces · 2019
Tianyi Wang, Haolin Zhu, Qun Zeng, Dingxin Liu
Read original paper ↗ ·The role of molecular modelling and simulation in the discovery and deployment of metal-organic frameworks for gas storage and separation
Molecular Simulation · 2019
Árni Sturluson, Melanie T. Huynh, Alec R. Kaija, Caleb Laird, Sunghyun Yoon, Feier Hou, Zhenxing Feng, Christopher E. Wilmer, Yamil J. Colón, Yongchul G. Chung, Daniel W. Siderius, Cory M. Simon
Read original paper ↗ ·Water‐stable Adenine‐based MOFs with Polar Pores for Selective CO2 Capture
Chemistry - An Asian Journal · 2019
Rahul Maity, Himan Dev Singh, Ankit Kumar Yadav, Debanjan Chakraborty, Ramanathan Vaidhyanathan
Read original paper ↗ ·Experiment‐Oriented Materials Informatics for Efficient Exploration of Design Strategy and New Compounds for High‐Performance Organic Anode
Advanced Theory and Simulations · 2019
Hiromichi Numazawa, Yasuhiko Igarashi, Kosuke Sato, Hiroaki Imai, Yuya Oaki
Read original paper ↗ ·Copper(II), Zinc(II), and Cadmium(II) Formylbenzoate Complexes: Reactivity and Emission Properties
ACS Omega · 2019
Jitendra Nath, Arup Tarai, J.B. Baruah
Read original paper ↗ ·Machine Learning Enabled Tailor-Made Design of Application-Specific Metal–Organic Frameworks
ACS Applied Materials & Interfaces · 2019
Xiangyu Zhang, Kexin Zhang, Yongjin Lee
Read original paper ↗ ·Modeling of multi-scale transport phenomena in shale gas production — A critical review
Applied Energy · 2020
Hui Wang, Ming-Jia Li, Zhiguo Qu, Ying Yin, Qinjun Kang, Bo Yu, Wen‐Quan Tao
Read original paper ↗ ·High-Throughput Computational Studies in Catalysis and Materials Research, and Their Impact on Rational Design
WORLD SCIENTIFIC eBooks · 2020
Mohammad Atif Faiz Afzal, Johannes Hachmann
Read original paper ↗ ·Sulfonated Sub-1-nm Metal–Organic Framework Channels with Ultrahigh Proton Selectivity
Journal of the American Chemical Society · 2020
Xingya Li, Huacheng Zhang, Jue Hou, Ranwen Ou, Yinlong Zhu, Chen Zhao, Tianyue Qian, Christopher D. Easton, Cordelia Selomulya, Matthew R. Hill, Huanting Wang
Read original paper ↗ ·Ab Initio Prediction of Metal-Organic Framework Structures
Chemistry of Materials · 2020
James P. Darby, Mihails Arhangelskis, Athanassios D. Katsenis, Joseph M. Marrett, Tomislav Friščić, Andrew J. Morris
Read original paper ↗ ·Big-Data Science in Porous Materials: Materials Genomics and Machine Learning
Chemical Reviews · 2020
Kevin Maik Jablonka, Daniele Ongari, Seyed Mohamad Moosavi, Berend Smit
Read original paper ↗ ·Applications of machine learning in metal-organic frameworks
Coordination Chemistry Reviews · 2020
Sanggyu Chong, Sangwon Lee, Baekjun Kim, Jihan Kim
Read original paper ↗ ·High Throughput Methods in the Synthesis, Characterization, and Optimization of Porous Materials
Advanced Materials · 2020
Ivan G. Clayson, Daniel Hewitt, Martin Hutereau, Tom Pope, Ben Slater
Read original paper ↗ ·Isotherm parameter library and evaluation software for CO2 capture adsorbents
Computers & Chemical Engineering · 2020
Seongbin Ga, Sangwon Lee, Jihan Kim, Jay H. Lee
Read original paper ↗ ·Inverse design of composite metal oxide optical materials based on deep transfer learning and global optimization
Computational Materials Science · 2020
Rongzhi Dong, Yabo Dan, Xiang Li, Jianjun Hu
Read original paper ↗ ·Evolutionary design of optimal surface topographies for biomaterials
Scientific Reports · 2020
Aliaksei S. Vasilevich, Aurélie Carlier, David Alan Winkler, Shantanu Singh, Jan de Boer
Read original paper ↗ ·Digitizing Chemistry Using the Chemical Processing Unit: From Synthesis to Discovery
Accounts of Chemical Research · 2020
Liam Wilbraham, S. Hessam M. Mehr, Leroy Cronin
Read original paper ↗ ·Bayesian optimization of nanoporous materials
Molecular Systems Design & Engineering · 2021
Aryan Deshwal, Cory M. Simon, Janardhan Rao Doppa
Read original paper ↗ ·Computational Screening of MOFs for CO2 Capture
Springer eBooks · 2021
Çiğdem Altıntaş, İlknur Eruçar, Seda Keskın
Read original paper ↗ ·Engineering metal–organic frameworks for adsorption-based gas separations: from process to atomic scale
Molecular Systems Design & Engineering · 2021
Marco Taddei, Camille Petit
Read original paper ↗ ·Harnessing the power of machine learning for carbon capture, utilisation, and storage (CCUS) – a state-of-the-art review
Energy & Environmental Science · 2021
Yongliang Yan, Yongliang Yan, Tohid Nejad Ghaffar Borhani, Sai Gokul Subraveti, Kasturi Nagesh Pai, Vinay Prasad, Arvind Rajendran, Paula Nkulikiyinka, Jude Odianosen Asibor, Zhien Zhang, Ding Shao, Lijuan Wang, Wenbiao Zhang, Yong Gang Yan, Yong Gang Yan, William Ampomah, Junyu You, Meihong Wang, Edward John Anthony, Vasilije M. Manovic, Peter T. Clough
Read original paper ↗ ·Inverse design of nanoporous crystalline reticular materials with deep generative models
Nature Machine Intelligence · 2021
Zhenpeng Yao, Benjamín Sánchez-Lengeling, N. Scott Bobbitt, Benjamin J. Bucior, Sai Govind Hari Kumar, Sean P. Collins, Thomas D. Burns, Tom K. Woo, Omar K. Farha, Randall Q. Snurr, Alán Aspuru‐Guzik
Read original paper ↗ ·Machine Learning-Driven Discovery of Metal–Organic Frameworks for Efficient CO2 Capture in Humid Condition
ACS Sustainable Chemistry & Engineering · 2021
Xiangyu Zhang, Kexin Zhang, Hyeonsuk Yoo, Yongjin Lee
Read original paper ↗ ·A Recommendation System to Predict Missing Adsorption Properties of Nanoporous Materials
ChemRxiv · 2021
Árni Sturluson, Ali Raza, Grant D. McConachie, Daniel W. Siderius, Xiaoli Z. Fern, Cory M. Simon
Read original paper ↗ ·Machine learning and descriptor selection for the computational discovery of metal-organic frameworks
Molecular Simulation · 2021
Krishnendu Mukherjee, Yamil J. Colón
Read original paper ↗ ·Computational Screening of Trillions of Metal–Organic Frameworks for High-Performance Methane Storage
ACS Applied Materials & Interfaces · 2021
Sangwon Lee, Baekjun Kim, Hyun Min Cho, Hooseung Lee, Sarah Yunmi Lee, Eun Seon Cho, Jihan Kim
Read original paper ↗ ·Machine Learning-based approach for Tailor-Made design of ionic Liquids: Application to CO2 capture
Separation and Purification Technology · 2021
Kexin Zhang, Jiasheng Wu, Hyeonsuk Yoo, Yongjin Lee
Read original paper ↗ ·Computational Discovery of Transition-metal Complexes: From High-throughput Screening to Machine Learning
Chemical Reviews · 2021
Aditya Nandy, Chenru Duan, Michael G. Taylor, Fang Liu, Adam H. Steeves, Heather J. Kulik
Read original paper ↗ ·In Silico Evolution of High-Performing Metal Organic Frameworks for Methane Adsorption
Journal of Chemical Information and Modeling · 2021
Nicole Beauregard, Maryam Pardakhti, Ranjan Srivastava
Read original paper ↗ ·Recommendation System to Predict Missing Adsorption Properties of Nanoporous Materials
Chemistry of Materials · 2021
Árni Sturluson, Ali Raza, Grant D. McConachie, Daniel W. Siderius, Xiaoli Z. Fern, Cory M. Simon
Read original paper ↗ ·