Tracking materials science data lineage to manage millions of materials experiments and analyses

Analyzing machine learning models to accelerate generation of fundamental materials insights

(2019) Mitsutaro Umehara et al.   npj Computational Materials

Synthesis, optical imaging, and absorption spectroscopy data for 179072 metal oxides

(2019) Helge S. Stein et al.   Scientific Data

Combinatorial alloying improves bismuth vanadate photoanodes via reduced monoclinic distortion

(2018) P. F. Newhouse et al.   Energy & Environmental Science

An open experimental database for exploring inorganic materials

(2018) Andriy Zakutayev et al.   Scientific Data

The 2018 Materials by Design Roadmap

(2018) Kirstin Alberi et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

NOMAD: The FAIR concept for big data-driven materials science

(2018) Claudia Draxl et al.   MRS BULLETIN

Rutile Alloys in the Mn–Sb–O System Stabilize Mn3+ To Enable Oxygen Evolution in Strong Acid

(2018) Lan Zhou et al.   ACS Catalysis

Bi-Containing n-FeWO4 Thin Films Provide the Largest Photovoltage and Highest Stability for a Sub-2 eV Band Gap Photoanode

(2018) Lan Zhou et al.   ACS Energy Letters

Solar fuels photoanode materials discovery by integrating high-throughput theory and experiment

(2017) Qimin Yan et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

An Operando Investigation of (Ni–Fe–Co–Ce)Ox System as Highly Efficient Electrocatalyst for Oxygen Evolution Reaction

(2017) Marco Favaro et al.   ACS Catalysis

Machine learning in materials informatics: recent applications and prospects

(2017) Rampi Ramprasad et al.   npj Computational Materials

Discovery of Fe–Ce Oxide/BiVO4 Photoanodes through Combinatorial Exploration of Ni–Fe–Co–Ce Oxide Coatings

(2016) Aniketa Shinde et al.   ACS Applied Materials & Interfaces

AiiDA: automated interactive infrastructure and database for computational science

(2016) Giovanni Pizzi et al.   COMPUTATIONAL MATERIALS SCIENCE

Development of solar fuels photoanodes through combinatorial integration of Ni–La–Co–Ce oxide catalysts on BiVO4

(2016) D. Guevarra et al.   Energy & Environmental Science

The Materials Data Facility: Data Services to Advance Materials Science Research

(2016) B. Blaiszik et al.   JOM

Expediting Combinatorial Data Set Analysis by Combining Human and Algorithmic Analysis

(2016) Helge Sören Stein et al.   ACS Combinatorial Science

Automated Phase Mapping with AgileFD and its Application to Light Absorber Discovery in the V–Mn–Nb Oxide System

(2016) Santosh K. Suram et al.   ACS Combinatorial Science

The FAIR Guiding Principles for scientific data management and stewardship

(2016) Mark D. Wilkinson et al.   Scientific Data

Combining reactive sputtering and rapid thermal processing for synthesis and discovery of metal oxynitrides

(2015) Lan Zhou et al.   JOURNAL OF MATERIALS RESEARCH

Combinatorial thin film composition mapping using three dimensional deposition profiles

(2015) Santosh K. Suram et al.   REVIEW OF SCIENTIFIC INSTRUMENTS

High-throughput on-the-fly scanning ultraviolet-visible dual-sphere spectrometer

(2015) Slobodan Mitrovic et al.   REVIEW OF SCIENTIFIC INSTRUMENTS

Informatics derived materials databases for multifunctional properties

(2015) Scott Broderick et al.   SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS

Parallel Electrochemical Treatment System and Application for Identifying Acid-Stable Oxygen Evolution Electrocatalysts

(2015) Ryan J. R. Jones et al.   ACS Combinatorial Science

Colorimetric Screening for High-Throughput Discovery of Light Absorbers

(2015) Slobodan Mitrovic et al.   ACS Combinatorial Science

Generating Information-Rich High-Throughput Experimental Materials Genomes using Functional Clustering via Multitree Genetic Programming and Information Theory

(2015) Santosh K. Suram et al.   ACS Combinatorial Science

Multiphase Nanostructure of a Quinary Metal Oxide Electrocatalyst Reveals a New Direction for OER Electrocatalyst Design

(2015) Joel A. Haber et al.   Advanced Energy Materials

High Throughput Discovery of Solar Fuels Photoanodes in the CuO-V2O5System

(2015) Lan Zhou et al.   Advanced Energy Materials

Public Data Archiving in Ecology and Evolution: How Well Are We Doing?

(2015) Dominique G. Roche et al.   PLOS BIOLOGY

The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies

(2015) Scott Kirklin et al.   npj Computational Materials

Discovering Ce-rich oxygen evolution catalysts, from high throughput screening to water electrolysis

(2014) Joel A. Haber et al.   Energy & Environmental Science

High-Throughput Screening for Acid-Stable Oxygen Evolution Electrocatalysts in the (Mn–Co–Ta–Sb)O x Composition Space

(2014) Aniketa Shinde et al.   Electrocatalysis

Discovery of New Oxygen Evolution Reaction Electrocatalysts by Combinatorial Investigation of the Ni-La-Co-Ce Oxide Composition Space

(2014) Joel A. Haber et al.   ChemElectroChem

High-throughput synchrotron X-ray diffraction for combinatorial phase mapping

(2014) J. M. Gregoire et al.   JOURNAL OF SYNCHROTRON RADIATION

The high-throughput highway to computational materials design

(2013) Stefano Curtarolo et al.   NATURE MATERIALS

Ten Simple Rules for Reproducible Computational Research

(2013) Geir Kjetil Sandve et al.   PLoS Computational Biology

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

(2013) Anubhav Jain et al.   APL Materials

AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations

(2012) Stefano Curtarolo et al.   COMPUTATIONAL MATERIALS SCIENCE

Toward interoperable bioscience data

(2012) Susanna-Assunta Sansone et al.   NATURE GENETICS

GenBank

(2012) Dennis A. Benson et al.   NUCLEIC ACIDS RESEARCH

Combinatorial and High-Throughput Screening of Materials Libraries: Review of State of the Art

(2011) Radislav Potyrailo et al.   ACS Combinatorial Science

Combinatorial and High-Throughput Development of Sensing Materials:  The First 10 Years

(2008) Radislav A. Potyrailo et al.   CHEMICAL REVIEWS