Standout Papers
Citation Impact
Citing Papers
Random forest machine learning models for interpretable X-ray absorption near-edge structure spectrum-property relationships
2020
On-the-fly machine-learning for high-throughput experiments: search for rare-earth-free permanent magnets
2014
A general-purpose machine learning framework for predicting properties of inorganic materials
2016
Chemistry of Soft Porous Crystals: Structural Dynamics and Gas Adsorption Properties
2020 StandoutNobel
Nanotechnology for environmentally sustainable electromobility
2016 StandoutNobel
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
Negating interfacial impedance in garnet-based solid-state Li metal batteries
2016 Standout
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
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
Unsupervised word embeddings capture latent knowledge from materials science literature
2019 Nature
Controlling Guest Diffusion by Local Dynamic Motion in Soft Porous Crystals to Separate Water Isotopologues and Similar Gases
2024 StandoutNobel
A GPT‐4 Reticular Chemist for Guiding MOF Discovery**
2023 StandoutNobel
Identification Schemes for Metal–Organic Frameworks To Enable Rapid Search and Cheminformatics Analysis
2019
Machine learning for data-driven discovery in solid Earth geoscience
2019 StandoutScience
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
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
Sr- and Mn-doped LaAlO3−δ for solar thermochemical H2 and CO production
2013
van der Waals Interactions in Layered Lithium Cobalt Oxides
2015
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
Big Data Creates New Opportunities for Materials Research: A Review on Methods and Applications of Machine Learning for Materials Design
2019
Density functional studies of olivine-type LiFePO4 and NaFePO4 as positive electrode materials for rechargeable lithium and sodium ion batteries
2016
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
Narrowing the Gap between Theoretical and Practical Capacities in Li‐Ion Layered Oxide Cathode Materials
2017 StandoutNobel
Toward Safe Lithium Metal Anode in Rechargeable Batteries: A Review
2017 Standout
Identifying promising metal–organic frameworks for heterogeneous catalysis via high‐throughput periodic density functional theory
2019
Covalent Organic Frameworks: Design, Synthesis, and Functions
2020 Standout
Representation of compounds for machine-learning prediction of physical properties
2017
Efficient Generation of H 2 by Splitting Water with an Isothermal Redox Cycle
2013 Science
Advanced Thermoelectric Design: From Materials and Structures to Devices
2020 Standout
Crystal structure representations for machine learning models of formation energies
2015
Ion Intercalation into Two-Dimensional Transition-Metal Carbides: Global Screening for New High-Capacity Battery Materials
2014
Water electrolysis: from textbook knowledge to the latest scientific strategies and industrial developments
2022 Standout
Accelerating the discovery of materials for clean energy in the era of smart automation
2018
Enabling the high capacity of lithium-rich anti-fluorite lithium iron oxide by simultaneous anionic and cationic redox
2017
Ce3+-Doped garnet phosphors: composition modification, luminescence properties and applications
2016 Standout
Machine learning the quantum-chemical properties of metal–organic frameworks for accelerated materials discovery
2021
Materials Cloud, a platform for open computational science
2020
Sustainable Conversion of Carbon Dioxide: An Integrated Review of Catalysis and Life Cycle Assessment
2017 Standout
Structural Transformation of MXene (V2C, Cr2C, and Ta2C) with O Groups during Lithiation: A First-Principles Investigation
2015
Computational Screening of 2D Materials and Rational Design of Heterojunctions for Water Splitting Photocatalysts
2018
Covalent O–H Bonds as Electron Traps in Proton-Rich Rutile TiO2 Nanoparticles
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
Extraordinary role of Hg in enhancing the thermoelectric performance of p-type SnTe
2014
Prediction of Synthesis of 2D Metal Carbides and Nitrides (MXenes) and Their Precursors with Positive and Unlabeled Machine Learning
2019
Thermodynamics, Kinetics and Structural Evolution of ε-LiVOPO4 over Multiple Lithium Intercalation
2016 StandoutNobel
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
2013 Standout
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
Enhanced Oxidation Kinetics in Thermochemical Cycling of CeO2 through Templated Porosity
2012
Research opportunities to advance solar energy utilization
2016 StandoutScience
Distribution of Ti3+ Surface Sites in Reduced TiO2
2011
Predicting research trends with semantic and neural networks with an application in quantum physics
2020 StandoutNobel
Progress in discovery and structural design of color conversion phosphors for LEDs
2016
Materials Screening for the Discovery of New Half-Heuslers: Machine Learning versus ab Initio Methods
2017
Realistic Cluster Modeling of Electron Transport and Trapping in Solvated TiO2 Nanoparticles
2012 StandoutNobel
Rationally Designing High-Performance Bulk Thermoelectric Materials
2016 Standout
Inverse Design of Solid-State Materials via a Continuous Representation
2019
Metallic Metal–Organic Frameworks Predicted by the Combination of Machine Learning Methods and Ab Initio Calculations
2018
Sodium-ion batteries: present and future
2017 Standout
The world of two-dimensional carbides and nitrides (MXenes)
2021 StandoutScience
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
Applications of 2D MXenes in energy conversion and storage systems
2018 Standout
From Molecules to Frameworks to Superframework Crystals
2021 StandoutNobel
Tuning oxide activity through modification of the crystal and electronic structure: from strain to potential polymorphs
2015
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
Disentangling Rotational Dynamics and Ordering Transitions in a System of Self-Organizing Protein Nanorods via Rotationally Invariant Latent Representations
2021 StandoutNobel
Use machine learning to find energy materials
2017 Nature
Informative Training Data for Efficient Property Prediction in Metal–Organic Frameworks by Active Learning
2024
From Lithium‐Ion to Sodium‐Ion Batteries: Advantages, Challenges, and Surprises
2017 Standout
More Cu, more problems: Decreased CO2 conversion ability by Cu-doped La0.75Sr0.25FeO3 perovskite oxides
2015
The Reticular Chemist
2020 StandoutNobel
Before Li Ion Batteries
2018 Standout
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
Mechanical properties and deformation mechanisms of gradient nanostructured metals and alloys
2020 Standout
Works of Bryce Meredig being referenced
Materials science with large-scale data and informatics: Unlocking new opportunities
2016
Can machine learning identify the next high-temperature superconductor? Examining extrapolation performance for materials discovery
2018
First-principles thermodynamic framework for the evaluation of thermochemicalH 2 O CO 2
2009
Dissolving the Periodic Table in Cubic Zirconia: Data Mining to Discover Chemical Trends
2014
Data mining our way to the next generation of thermoelectrics
2015
High-Throughput Machine-Learning-Driven Synthesis of Full-Heusler Compounds
2016
Robust FCC solute diffusion predictions from ab-initio machine learning methods
2017
High‐Throughput Computational Screening of New Li‐Ion Battery Anode Materials
2012
Understanding thermoelectric properties from high-throughput calculations: trends, insights, and comparisons with experiment
2016
Materials Data Infrastructure: A Case Study of the Citrination Platform to Examine Data Import, Storage, and Access
2016
Perspective: Web-based machine learning models for real-time screening of thermoelectric materials properties
2016
Strategies for accelerating the adoption of materials informatics
2018
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
Method for locating low-energy solutions withinDFT + U
2010
Machine Learning in Materials Discovery: Confirmed Predictions and Their Underlying Approaches
2020