相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Thermal Stability of Metal-Organic Frameworks (MOFs): Concept, Determination, and Model Prediction Using Computational Chemistry and Machine Learning
Harold U. Escobar-Hernandez et al.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2022)
Mapping the Porous and Chemical Structure-Function Relationships of Trace CH3I Capture by Metal-Organic Frameworks using Machine Learning
Xiaoyu Wu et al.
ACS APPLIED MATERIALS & INTERFACES (2022)
A Comprehensive Survey on Transfer Learning
Fuzhen Zhuang et al.
PROCEEDINGS OF THE IEEE (2021)
Machine learning and descriptor selection for the computational discovery of metal-organic frameworks
Krishnendu Mukherjee et al.
MOLECULAR SIMULATION (2021)
Deep learning combined with IAST to screen thermodynamically feasible MOFs for adsorption-based separation of multiple binary mixtures
Ryther Anderson et al.
JOURNAL OF CHEMICAL PHYSICS (2021)
Fingerprinting diverse nanoporous materials for optimal hydrogen storage conditions using meta-learning
Yangzesheng Sun et al.
SCIENCE ADVANCES (2021)
Machine learning the quantum-chemical properties of metal-organic frameworks for accelerated materials discovery
Andrew S. Rosen et al.
MATTER (2021)
Inverse design of nanoporous crystalline reticular materials with deep generative models
Zhenpeng Yao et al.
NATURE MACHINE INTELLIGENCE (2021)
Prediction of MOF Performance in Vacuum Swing Adsorption Systems for Postcombustion CO2 Capture Based on Integrated Molecular Simulations, Process Optimizations, and Machine Learning Models
Thomas D. Burns et al.
ENVIRONMENTAL SCIENCE & TECHNOLOGY (2020)
A Generic Machine Learning Algorithm for the Prediction of Gas Adsorption in Nanoporous Materials
George S. Fanourgakis et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2020)
Transfer Learning Study of Gas Adsorption in Metal-Organic Frameworks
Ruimin Ma et al.
ACS APPLIED MATERIALS & INTERFACES (2020)
A review of electrochemical energy storage behaviors based on pristine metal-organic frameworks and their composites
Meng Du et al.
COORDINATION CHEMISTRY REVIEWS (2020)
An Automated Machine Learning architecture for the accelerated prediction of Metal-Organic Frameworks performance in energy and environmental applications
Ioannis Tsamardinos et al.
MICROPOROUS AND MESOPOROUS MATERIALS (2020)
Understanding the diversity of the metal-organic framework ecosystem
Seyed Mohamad Moosavi et al.
NATURE COMMUNICATIONS (2020)
Machine-Learning-Guided Morphology Engineering of Nanoscale Metal-Organic Frameworks
Peican Chen et al.
MATTER (2020)
Targeted classification of metal-organic frameworks in the Cambridge structural database (CSD)
Peyman Z. Moghadam et al.
CHEMICAL SCIENCE (2020)
The role of molecular modelling and simulation in the discovery and deployment of metal-organic frameworks for gas storage and separation†
Arni Sturluson et al.
MOLECULAR SIMULATION (2019)
Predicting Materials Properties with Little Data Using Shotgun Transfer Learning
Hironao Yamada et al.
ACS CENTRAL SCIENCE (2019)
Energy-based descriptors to rapidly predict hydrogen storage in metal-organic frameworks
Benjamin J. Bucior et al.
MOLECULAR SYSTEMS DESIGN & ENGINEERING (2019)
Structure-Mechanical Stability Relations of Metal-Organic Frameworks via Machine Learning
Peyman Z. Moghadam et al.
MATTER (2019)
Deep neural network learning of complex binary sorption equilibria from molecular simulation data
Yangzesheng Sun et al.
CHEMICAL SCIENCE (2019)
Increasing topological diversity during computational synthesis of porous crystals: how and why
Ryther Anderson et al.
CRYSTENGCOMM (2019)
High-throughput computational screening of metal-organic framework membranes for upgrading of natural gas
Zhiwei Qiao et al.
JOURNAL OF MEMBRANE SCIENCE (2018)
Computational Screening of Metal-Organic Frameworks for Membrane-Based CO2/N2/H2O Separations: Best Materials for Flue Gas Separation
Hilal Daglar et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2018)
Recent advances in gas storage and separation using metal-organic frameworks
Hao Li et al.
MATERIALS TODAY (2018)
Metal organic framework based mixed matrix membranes: an overview on filler/polymer interfaces
Rijia Lin et al.
JOURNAL OF MATERIALS CHEMISTRY A (2018)
Conductive MOF electrodes for stable supercapacitors with high areal capacitance
Dennis Sheberla et al.
NATURE MATERIALS (2017)
Machine Learning Using Combined Structural and Chemical Descriptors for Prediction of Methane Adsorption Performance of Metal Organic Frameworks (MOFs)
Maryam Pardakhti et al.
ACS COMBINATORIAL SCIENCE (2017)
Topologically Guided, Automated Construction of Metal-Organic Frameworks and Their Evaluation for Energy-Related Applications
Yamil J. Colon et al.
CRYSTAL GROWTH & DESIGN (2017)
Metal-organic frameworks for energy storage: Batteries and supercapacitors
Lu Wang et al.
COORDINATION CHEMISTRY REVIEWS (2016)
Endocytosis Mechanism of Nano Metal-Organic Frameworks for Drug Delivery
Claudia Orellana-Tavra et al.
ADVANCED HEALTHCARE MATERIALS (2016)
The materials genome in action: identifying the performance limits for methane storage
Cory M. Simon et al.
ENERGY & ENVIRONMENTAL SCIENCE (2015)
Large-scale screening of hypothetical metal-organic frameworks
Christopher E. Wilmer et al.
NATURE CHEMISTRY (2012)
Thermodynamic analysis of Xe/Kr selectivity in over 137 000 hypothetical metal-organic frameworks
Benjamin J. Sikora et al.
CHEMICAL SCIENCE (2012)
Nanoscale Metal-Organic Frameworks for Biomedical Imaging and Drug Delivery
Joseph Della Rocca et al.
ACCOUNTS OF CHEMICAL RESEARCH (2011)
A Survey on Transfer Learning
Sinno Jialin Pan et al.
IEEE TRANSACTIONS ON KNOWLEDGE AND DATA ENGINEERING (2010)
Secondary building units, nets and bonding in the chemistry of metal-organic frameworks
David J. Tranchemontagne et al.
CHEMICAL SOCIETY REVIEWS (2009)
Flexible porous metal-organic frameworks for a controlled drug delivery
Patricia Horcajada et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Molecular simulations for adsorption and separation of natural gas in IRMOF-1 and Cu-BTC metal-organic frameworks
Ana Martin-Calvo et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)
Grand canonical Monte Carlo simulation study on the catenation effect on hydrogen adsorption onto the interpenetrating metal-organic frameworks
Dong Hyun Jung et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
A density functional theory study of hydrogen adsorption in MOF-5
T Mueller et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
Adsorption of gases in metal organic materials: Comparison of simulations and experiments
G Garberoglio et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
Molecular simulation of adsorption and diffusion of hydrogen in metal-organic frameworks
QY Yang et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
The Cambridge Structural Database: a quarter of a million crystal structures and rising
FH Allen
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE (2002)
Systematic design of pore size and functionality in isoreticular MOFs and their application in methane storage
M Eddaoudi et al.
SCIENCE (2002)
Assembly of metal-organic frameworks from large organic and inorganic secondary building units: New examples and simplifying principles for complex structures
J Kim et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)
Modular chemistry: Secondary building units as a basis for the design of highly porous and robust metal-organic carboxylate frameworks
M Eddaoudi et al.
ACCOUNTS OF CHEMICAL RESEARCH (2001)