Standout Papers
Citation Impact
Citing Papers
Random forest machine learning models for interpretable X-ray absorption near-edge structure spectrum-property relationships
2020
Nanoparticles: Properties, applications and toxicities
2017 Standout
4‐(N,N‐Dimethylamino)pyridine‐Embedded Nanoporous Conjugated Polymer as a Highly Active Heterogeneous Organocatalyst
2012
On-the-fly machine-learning for high-throughput experiments: search for rare-earth-free permanent magnets
2014
“Bottom‐Up” Embedding of the Jørgensen–Hayashi Catalyst into a Chiral Porous Polymer for Highly Efficient Heterogeneous Asymmetric Organocatalysis
2012
A general-purpose machine learning framework for predicting properties of inorganic materials
2016
Materials science with large-scale data and informatics: Unlocking new opportunities
2016
Chemistry of Soft Porous Crystals: Structural Dynamics and Gas Adsorption Properties
2020 StandoutNobel
An organometallic approach for microporous organic network (MON)–Co3O4composites: enhanced stability as anode materials for lithium ion batteries
2011
High Thermoelectric Performance of p-Type SnTe via a Synergistic Band Engineering and Nanostructuring Approach
2014
Strategies for improving the sustainability of structural metals
2019 StandoutNature
Dynamic imine chemistry
2012 StandoutNobel
Machine Learning Energies of 2 Million Elpasolite( A B C 2 D 6 )
2016
Machine learning for molecular and materials science
2018 StandoutNature
Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material Properties
2018 Standout
Building ultramicropores within organic polymers based on a thermosetting cyanate ester resin
2009
Microporous polyimide networks with large surface areas and their hydrogen storage properties
2010
A Machine Learning Approach to Zeolite Synthesis Enabled by Automatic Literature Data Extraction
2019
How machine learning can help select capping layers to suppress perovskite degradation
2020 StandoutNobel
A Statistical Learning Framework for Materials Science: Application to Elastic Moduli of k-nary Inorganic Polycrystalline Compounds
2016
Conjugated microporous polymers: design, synthesis and application
2013 Standout
Lewis acid-catalysed formation of two-dimensional phthalocyanine covalent organic frameworks
2010
A Highly Active and Support‐Free Oxygen Reduction Catalyst Prepared from Ultrahigh‐Surface‐Area Porous Polyporphyrin
2013
Controlled growth of narrowly dispersed nanosize hexagonal MOF rods from Mn(iii)–porphyrin and In(NO3)3 and their application in olefin oxidation
2012
A GPT‐4 Reticular Chemist for Guiding MOF Discovery**
2023 StandoutNobel
Machine learning for data-driven discovery in solid Earth geoscience
2019 StandoutScience
Metal–organic and covalent organic frameworks as single-site catalysts
2017
Design and Preparation of Porous Polymers
2012 Standout
A critical review of high entropy alloys and related concepts
2016 Standout
Toward the Balance between the Reductionist and Systems Approaches in Computational Catalysis: Model versus Method Accuracy for the Description of Catalytic Systems
2017
Perspective: Materials informatics and big data: Realization of the “fourth paradigm” of science in materials science
2016 Standout
Materials Synthesis Insights from Scientific Literature via Text Extraction and Machine Learning
2017
Recent Advances in Electrocatalysts for Oxygen Reduction Reaction
2016 Standout
Connecting the irreversible capacity loss in Li-ion batteries with the electronic insulating properties of solid electrolyte interphase (SEI) components
2016
Novel MAB phases and insights into their exfoliation into 2D MBenes
2019
Including crystal structure attributes in machine learning models of formation energies via Voronoi tessellations
2017
Standard enthalpies of formation of selected XYZ half-Heusler compounds
2015
Porous Organic Polymers Based on Propeller-Like Hexaphenylbenzene Building Units
2011
AIE macromolecules: syntheses, structures and functionalities
2014
Thionyl Chloride-Catalyzed Preparation of Microporous Organic Polymers through Aldol Condensation
2011
Metal Catalysts for Heterogeneous Catalysis: From Single Atoms to Nanoclusters and Nanoparticles
2018 Standout
A highly active and stable IrO x /SrIrO 3 catalyst for the oxygen evolution reaction
2016 StandoutScience
Progress and Perspectives of Electrochemical CO2 Reduction on Copper in Aqueous Electrolyte
2019 Standout
Virtual screening of inorganic materials synthesis parameters with deep learning
2017
Exploitation of Intrinsic Microporosity in Polymer-Based Materials
2010
High Surface Area Contorted Conjugated Microporous Polymers Based on Spiro-Bipropylenedioxythiophene
2010
Single-Crystal Structure of a Covalent Organic Framework
2013 StandoutNobel
Porous Organic Materials: Strategic Design and Structure–Function Correlation
2016
Toward Safe Lithium Metal Anode in Rechargeable Batteries: A Review
2017 Standout
High-Throughput Machine-Learning-Driven Synthesis of Full-Heusler Compounds
2016
Identifying promising metal–organic frameworks for heterogeneous catalysis via high‐throughput periodic density functional theory
2019
Functional conjugated microporous polymers: from 1,3,5-benzene to 1,3,5-triazine
2012
Reticular Electronic Tuning of Porphyrin Active Sites in Covalent Organic Frameworks for Electrocatalytic Carbon Dioxide Reduction
2017 StandoutNobel
Covalent Organic Frameworks: Design, Synthesis, and Functions
2020 Standout
Porous covalent–organic materials: synthesis, clean energy application and design
2012
Representation of compounds for machine-learning prediction of physical properties
2017
Dynamic Transformation between Covalent Organic Frameworks and Discrete Organic Cages
2020 StandoutNobel
Aggregation-Induced Emission: Together We Shine, United We Soar!
2015 Standout
Introduction of π-Complexation into Porous Aromatic Framework for Highly Selective Adsorption of Ethylene over Ethane
2014
A Synthetic Route for Crystals of Woven Structures, Uniform Nanocrystals, and Thin Films of Imine Covalent Organic Frameworks
2017 StandoutNobel
Covalent organic frameworks comprising cobalt porphyrins for catalytic CO 2 reduction in water
2015 StandoutScienceNobel
High Surface Area Networks from Tetrahedral Monomers: Metal-Catalyzed Coupling, Thermal Polymerization, and “Click” Chemistry
2010
Crystal structure representations for machine learning models of formation energies
2015
Accelerating the discovery of materials for clean energy in the era of smart automation
2018
Tailoring the pore size of hypercrosslinked polymers
2011
Machine learning the quantum-chemical properties of metal–organic frameworks for accelerated materials discovery
2021
Inverse design in search of materials with target functionalities
2018
Materials Cloud, a platform for open computational science
2020
Three-Dimensional Phthalocyanine Metal-Catecholates for High Electrochemical Carbon Dioxide Reduction
2019 StandoutNobel
Nickel-catalyzed synthesis of nanoporous organic frameworks and their potential use in gas storage applications
2011
A Hafnium-Based Metal–Organic Framework as an Efficient and Multifunctional Catalyst for Facile CO2 Fixation and Regioselective and Enantioretentive Epoxide Activation
2014 StandoutNobel
Computational predictions of energy materials using density functional theory
2016
Accelerated discovery of metallic glasses through iteration of machine learning and high-throughput experiments
2018
Deep Eutectic Solvents: A Review of Fundamentals and Applications
2020 Standout
Ultrahigh power factor and thermoelectric performance in hole-doped single-crystal SnSe
2015 StandoutScience
Digital Reticular Chemistry
2020 StandoutNobel
Hydrogen adsorption in pyridine bridged porphyrin-covalent organic framework
2018
Polydopamine and Its Derivative Materials: Synthesis and Promising Applications in Energy, Environmental, and Biomedical Fields
2014 Standout
Crystalline Polyphenylene Covalent Organic Frameworks
2023 StandoutNobel
Prediction of Synthesis of 2D Metal Carbides and Nitrides (MXenes) and Their Precursors with Positive and Unlabeled Machine Learning
2019
Microporous organic networks bearing metal-salen species for mild CO2 fixation to cyclic carbonates
2013
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
2013 Standout
High Surface Area Conjugated Microporous Polymers: The Importance of Reaction Solvent Choice
2010
Statistical models are able to predict ionic liquid viscosity across a wide range of chemical functionalities and experimental conditions
2018
Ionic Conduction Mechanism and Design of Metal–Organic Framework Based Quasi-Solid-State Electrolytes
2022 StandoutNobel
A new route to porous monolithic organic frameworks via cyclotrimerization
2010
Nanoporous organic polymer networks
2011
Inverse Design of Solid-State Materials via a Continuous Representation
2019
Enhanced carbon dioxide uptake by metalloporphyrin-based microporous covalent triazine framework
2013
Sulfonate-Grafted Porous Polymer Networks for Preferential CO2 Adsorption at Low Pressure
2011
Metallic Metal–Organic Frameworks Predicted by the Combination of Machine Learning Methods and Ab Initio Calculations
2018
The world of two-dimensional carbides and nitrides (MXenes)
2021 StandoutScience
Chemistry of Covalent Organic Frameworks
2015 StandoutNobel
Material informatics driven design and experimental validation of lead titanate as an aqueous solar photocathode
2016
Active learning across intermetallics to guide discovery of electrocatalysts for CO2 reduction and H2 evolution
2018
The thermodynamic scale of inorganic crystalline metastability
2016
Alloy Negative Electrodes for Li-Ion Batteries
2014 Standout
Extended phenylene based microporous organic polymers with selective carbon dioxide adsorption
2011
Crystalline Covalent Organic Frameworks with Hydrazone Linkages
2011 StandoutNobel
From Molecules to Frameworks to Superframework Crystals
2021 StandoutNobel
The Lithium/Air Battery: Still an Emerging System or a Practical Reality?
2014
A New Strategy to Microporous Polymers: Knitting Rigid Aromatic Building Blocks by External Cross-Linker
2011
Triptycene-Based Polymers of Intrinsic Microporosity: Organic Materials That Can Be Tailored for Gas Adsorption
2010
The Chemistry and Applications of Metal-Organic Frameworks
2013 StandoutScienceNobel
Data-driven prediction of battery cycle life before capacity degradation
2019 Standout
Holistic computational structure screening of more than 12 000 candidates for solid lithium-ion conductor materials
2016
Tuning oxide activity through modification of the crystal and electronic structure: from strain to potential polymorphs
2015
Radical Polymerization of Vinyl Monomers in Porous Organic Cages
2016 StandoutNobel
Discovery of blue singlet exciton fission molecules via a high-throughput virtual screening and experimental approach
2019 StandoutNobel
ChatGPT Chemistry Assistant for Text Mining and the Prediction of MOF Synthesis
2023 StandoutNobel
Recognition of 1,3‐Butadiene by a Porous Coordination Polymer
2016 StandoutNobel
Highly Porous Cross-Linked Polymers for Catalytic Asymmetric Diethylzinc Addition to Aldehydes
2011
Tetraphenylethylene-based fluorescent porous organic polymers: preparation, gas sorption properties and photoluminescence properties
2011
Hypercrosslinked Polymer Gels as a Synthetic Hybridization Platform for Designing Versatile Molecular Separators
2022 StandoutNobel
Quasi-Homogeneous Photocatalysis in Ultrastiff Microporous Polymer Aerogels
2024 StandoutNobel
Advances in Conjugated Microporous Polymers
2020
Perovskites in catalysis and electrocatalysis
2017 StandoutScience
Computational Discovery and Design of MXenes for Energy Applications: Status, Successes, and Opportunities
2019
Na3MnZr(PO4)3: A High-Voltage Cathode for Sodium Batteries
2018 StandoutNobel
Metal Oxides and Oxysalts as Anode Materials for Li Ion Batteries
2013 Standout
Works of Scott Kirklin being referenced
High-throughput computational design of cathode coatings for Li-ion batteries
2016
Microporous polyphenylenes with tunable pore size for hydrogen storage
2010
High-Throughput Computational Screening of Perovskites for Thermochemical Water Splitting Applications
2016
Nanoporous Polyporphyrin as Adsorbent for Hydrogen Storage
2010
High-throughput computational search for strengthening precipitates in alloys
2015
High‐Throughput Computational Screening of New Li‐Ion Battery Anode Materials
2012
Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD)
2013 Standout
Combinatorial screening for new materials in unconstrained composition space with machine learning
2014
The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies
2015 Standout
Approaching chemical accuracy with density functional calculations: Diatomic energy corrections
2013
High-throughput screening of high-capacity electrodes for hybrid Li-ion–Li–O2cells
2014
Nanoporous Polymers Containing Stereocontorted Cores for Hydrogen Storage
2009
Vision for Designing High-Energy, Hybrid Li Ion/Li–O2 Cells
2013