Standout Papers
Citation Impact
Citing Papers
The Materials Application Programming Interface (API): A simple, flexible and efficient API for materials data based on REpresentational State Transfer (REST) principles
2014
Materials science with large-scale data and informatics: Unlocking new opportunities
2016
Lithium and sodium battery cathode materials: computational insights into voltage, diffusion and nanostructural properties
2013
Electrostatic‐Field‐Induced Enhancement of Gas Mixture Separation in Metal‐Organic Frameworks: A Computational Study
2006
Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning
2012 Standout
Big–deep–smart data in imaging for guiding materials design
2015
Accelerating materials property predictions using machine learning
2013
Industrial applications of metal–organic frameworks
2009 Standout
Designing the next generation of proton-exchange membrane fuel cells
2021 StandoutNature
Machine learning for molecular and materials science
2018 StandoutNature
Charge distribution in metal organic framework materials: transferability to a preliminary molecular simulation study of the CO2adsorption in the MIL-53 (Al) system
2006
Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material Properties
2018 Standout
Machine-learning-assisted materials discovery using failed experiments
2016 Nature
Nanoporous Carbohydrate Metal–Organic Frameworks
2011 StandoutNobel
Old materials with new tricks: multifunctional open-framework materials
2007
Electronic-Structure Origin of Cation Disorder in Transition-Metal Oxides
2017
Morphology and surface properties of LiVOPO4: a first principles study
2014
Removal of Interstitial H2O in Hexacyanometallates for a Superior Cathode of a Sodium-Ion Battery
2015 StandoutNobel
The high-throughput highway to computational materials design
2013
Energy and fuels from electrochemical interfaces
2016 Standout
Hybrid porous solids: past, present, future
2007 Standout
Mass transport modelling for the electroreduction of CO2 on Cu nanowires
2017
A critical review of high entropy alloys and related concepts
2016 Standout
Hyperpolarized 129Xe Nuclear Magnetic Resonance Studies of Isoreticular Metal-Organic Frameworks
2007 StandoutNobel
Exceptional Thermal Stability in a Supramolecular Organic Framework: Porosity and Gas Storage
2010 StandoutNobel
Perspective: Materials informatics and big data: Realization of the “fourth paradigm” of science in materials science
2016 Standout
A Multiunit Catalyst with Synergistic Stability and Reactivity: A Polyoxometalate–Metal Organic Framework for Aerobic Decontamination
2011 StandoutNobel
Sequencing of metals in multivariate metal-organic frameworks
2020 StandoutScienceNobel
Materials Synthesis Insights from Scientific Literature via Text Extraction and Machine Learning
2017
Recent Advances in Electrocatalysts for Oxygen Reduction Reaction
2016 Standout
Nanostructured electrocatalysts with tunable activity and selectivity
2016
Explainable Artificial Intelligence (XAI): Concepts, taxonomies, opportunities and challenges toward responsible AI
2019 Standout
Including crystal structure attributes in machine learning models of formation energies via Voronoi tessellations
2017
Adsorption and diffusion of hydrogen and methane in 2D covalent organic frameworks
2008
Machine-Learning-Augmented Chemisorption Model for CO2 Electroreduction Catalyst Screening
2015
Nanostructured Copper‐Based Electrocatalysts for CO2 Reduction
2018
Ultrahigh Surface Area Zirconium MOFs and Insights into the Applicability of the BET Theory
2015 StandoutNobel
Combining theory and experiment in electrocatalysis: Insights into materials design
2017 StandoutScience
Control of Vertex Geometry, Structure Dimensionality, Functionality, and Pore Metrics in the Reticular Synthesis of Crystalline Metal−Organic Frameworks and Polyhedra
2008 StandoutNobel
A Computational Investigation of Li9M3(P2O7)3(PO4)2(M = V, Mo) as Cathodes for Li Ion Batteries
2012
Random Alloyed versus Intermetallic Nanoparticles: A Comparison of Electrocatalytic Performance
2018
Surface and Interface Engineering in Copper-Based Bimetallic Materials for Selective CO2 Electroreduction
2018
Mapping of Functional Groups in Metal-Organic Frameworks
2013 StandoutScienceNobel
Saturation of Hydrogen Sorption in Zn Benzenedicarboxylate and Zn Naphthalenedicarboxylate
2006
Progress and Perspectives of Electrochemical CO2 Reduction on Copper in Aqueous Electrolyte
2019 Standout
Li-ion battery materials: present and future
2014 Standout
Impact of Preparation and Handling on the Hydrogen Storage Properties of Zn4O(1,4-benzenedicarboxylate)3 (MOF-5)
2007 StandoutNobel
The application of metal-organic frameworks in catalysis (Review)
2010
High-Throughput Machine-Learning-Driven Synthesis of Full-Heusler Compounds
2016
Hydrothermal synthesis, structure refinement, and electrochemical characterization of Li2CoGeO4 as an oxygen evolution catalyst
2014 StandoutNobel
Polyanionic (Phosphates, Silicates, Sulfates) Frameworks as Electrode Materials for Rechargeable Li (or Na) Batteries
2013
Electrochemical and Thermal Properties of NASICON Structured Na3V2(PO4)3as a Sodium Rechargeable Battery Cathode: A Combined Experimental and Theoretical Study
2012
AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations
2012
High-Flux CO Reduction Enabled by Three-Dimensional Nanostructured Copper Electrodes
2018
Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials
2011
Representation of compounds for machine-learning prediction of physical properties
2017
Microstructural design considerations for Li-ion battery systems
2012
Carbothermal shock synthesis of high-entropy-alloy nanoparticles
2018 StandoutScience
Electrode Materials for Rechargeable Sodium‐Ion Batteries: Potential Alternatives to Current Lithium‐Ion Batteries
2012 Standout
Polycrystalline and Single‐Crystal Cu Electrodes: Influence of Experimental Conditions on the Electrochemical Properties in Alkaline Media
2018
Phosphates as Lithium-Ion Battery Cathodes: An Evaluation Based on High-Throughput ab Initio Calculations
2011
What would it take for renewably powered electrosynthesis to displace petrochemical processes?
2019 StandoutScience
Carbon capture and conversion using metal–organic frameworks and MOF-based materials
2019 StandoutNobel
Interfacial Effects in ε-LixVOPO4 and Evolution of the Electronic Structure
2015 StandoutNobel
Complex Hydrides for Hydrogen Storage
2007 Standout
Comparison of the polymorphs of VOPO4 as multi-electron cathodes for rechargeable alkali-ion batteries
2017 StandoutNobel
Effects of Surface Area, Free Volume, and Heat of Adsorption on Hydrogen Uptake in Metal−Organic Frameworks
2006
Microstructure and properties of a refractory high-entropy alloy after cold working
2015
Higher, Stronger, Better… A Review of 5 Volt Cathode Materials for Advanced Lithium‐Ion Batteries
2012
Storage of Hydrogen, Methane, and Carbon Dioxide in Highly Porous Covalent Organic Frameworks for Clean Energy Applications
2009 StandoutNobel
Chemical and Electrochemical Lithiation of LiVOPO4 Cathodes for Lithium-Ion Batteries
2014
Electrochemical Carbon Monoxide Reduction on Polycrystalline Copper: Effects of Potential, Pressure, and pH on Selectivity toward Multicarbon and Oxygenated Products
2018
Microstructure and mechanical properties of refractory MoNbHfZrTi high-entropy alloy
2015
Electrochemically addressable trisradical rotaxanes organized within a metal–organic framework
2015 StandoutNobel
How to represent crystal structures for machine learning: Towards fast prediction of electronic properties
2014
Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis
2012 Standout
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
Acquisition of chess knowledge in AlphaZero
2022 StandoutNobel
Tin nanoparticles decorated copper oxide nanowires for selective electrochemical reduction of aqueous CO2to CO
2016
A Pillared-Layer Coordination Polymer with a Rotatable Pillar Acting as a Molecular Gate for Guest Molecules
2009 StandoutNobel
Recent progress in high-voltage lithium ion batteries
2013
Understanding Catalytic Activity Trends in the Oxygen Reduction Reaction
2018 Standout
Recent Advances in CO2 Reduction Electrocatalysis on Copper
2018
Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD)
2013 Standout
Covalent Organic Frameworks as Exceptional Hydrogen Storage Materials
2008 StandoutNobel
The Harvard Clean Energy Project: Large-Scale Computational Screening and Design of Organic Photovoltaics on the World Community Grid
2011
Nanostructured Materials for Heterogeneous Electrocatalytic CO2 Reduction and their Related Reaction Mechanisms
2017
Rational synthesis and electrochemical performance of LiVOPO4 polymorphs
2019 StandoutNobel
Garnet Electrolyte with an Ultralow Interfacial Resistance for Li-Metal Batteries
2018 StandoutNobel
The thermodynamic scale of inorganic crystalline metastability
2016
Hydrogen adsorption sites and energies in 2D and 3D covalent organic frameworks
2010
Computational screening of perovskite metal oxides for optimal solar light capture
2011
The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies
2015 Standout
Crystalline Covalent Organic Frameworks with Hydrazone Linkages
2011 StandoutNobel
Superacidity in Sulfated Metal–Organic Framework-808
2014 StandoutNobel
Nanochannels of Two Distinct Cross-Sections in a Porous Al-Based Coordination Polymer
2008 StandoutNobel
Metal Insertion in a Microporous Metal−Organic Framework Lined with 2,2′-Bipyridine
2010 StandoutNobel
Ultrafine jagged platinum nanowires enable ultrahigh mass activity for the oxygen reduction reaction
2016 StandoutScience
Lithium Insertion or Extraction from/into Tavorite-Type LiVPO4F: An In Situ X-ray Diffraction Study
2012
Separation of CO2 from CH4 Using Mixed-Ligand Metal−Organic Frameworks
2008
Understanding Inflections and Steps in Carbon Dioxide Adsorption Isotherms in Metal-Organic Frameworks
2007 StandoutNobel
Selective and Stable Electroreduction of CO2 to CO at the Copper/Indium Interface
2018
Introduction of Functionality, Selection of Topology, and Enhancement of Gas Adsorption in Multivariate Metal–Organic Framework-177
2015 StandoutNobel
Force Field Validation for Molecular Dynamics Simulations of IRMOF-1 and Other Isoreticular Zinc Carboxylate Coordination Polymers
2008
Explaining Performance-Limiting Mechanisms in Fluorophosphate Na-Ion Battery Cathodes through Inactive Transition-Metal Mixing and First-Principles Mobility Calculations
2015
Interface Stability in Solid-State Batteries
2015
ε- and β-LiVOPO4: Phase Transformation and Electrochemistry
2017 StandoutNobel
Examination of Near-Electrode Concentration Gradients and Kinetic Impacts on the Electrochemical Reduction of CO2 using Surface-Enhanced Infrared Spectroscopy
2018
Ultimate Limits to Intercalation Reactions for Lithium Batteries
2014 StandoutNobel
Electrochemical Stability of Li10GeP2S12 and Li7La3Zr2O12 Solid Electrolytes
2016
Advanced High Energy Density Secondary Batteries with Multi‐Electron Reaction Materials
2016
Metal Oxides and Oxysalts as Anode Materials for Li Ion Batteries
2013 Standout
Phase stability and its impact on the electrochemical performance of VOPO4and LiVOPO4
2014
Works of Tim Mueller being referenced
Mechanistic Insights for Low-Overpotential Electroreduction of CO2 to CO on Copper Nanowires
2017
Designing Multielectron Lithium-Ion Phosphate Cathodes by Mixing Transition Metals
2013
Finding Nature’s Missing Ternary Oxide Compounds Using Machine Learning and Density Functional Theory
2010
A Density Functional Theory Study of Hydrogen Adsorption in MOF-5
2005
Phase equilibria, microstructure, and high temperature oxidation resistance of novel refractory high-entropy alloys
2014
Low-Overpotential Electroreduction of Carbon Monoxide Using Copper Nanowires
2017
Evaluation of Tavorite-Structured Cathode Materials for Lithium-Ion Batteries Using High-Throughput Computing
2011
A high-throughput infrastructure for density functional theory calculations
2011
High-performance transition metal–doped Pt 3 Ni octahedra for oxygen reduction reaction
2015 StandoutScience
Rational Design of Pt3Ni Surface Structures for the Oxygen Reduction Reaction
2015
Effective interactions between theN − H
2006