High-throughput screening of inorganic compounds for the discovery of novel dielectric and optical materials

A polymer dataset for accelerated property prediction and design

(2016) Tran Doan Huan et al.   Scientific Data

The Materials Application Programming Interface (API): A simple, flexible and efficient API for materials data based on REpresentational State Transfer (REST) principles

(2015) Shyue Ping Ong et al.   COMPUTATIONAL MATERIALS SCIENCE

FireWorks: a dynamic workflow system designed for high-throughput applications

(2015) Anubhav Jain et al.   CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE

Novel high-κ dielectrics for next-generation electronic devices screened by automated ab initio calculations

(2015) Kanghoon Yim et al.   NPG Asia Materials

Charting the complete elastic properties of inorganic crystalline compounds

(2015) Maarten de Jong et al.   Scientific Data

A database to enable discovery and design of piezoelectric materials

(2015) Maarten de Jong et al.   Scientific Data

High throughput exploration of ZrxSi1−xO2 dielectrics by evolutionary first-principles approaches

(2014) Jin Zhang et al.   PHYSICS LETTERS A

Rational design of all organic polymer dielectrics

(2014) Vinit Sharma et al.   Nature Communications

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

(2013) Anubhav Jain et al.   APL Materials

Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis

(2012) Shyue Ping Ong et al.   COMPUTATIONAL MATERIALS SCIENCE

Tunable dielectric response of transition metals dichalcogenides MX2 (M=Mo, W; X=S, Se, Te): Effect of quantum confinement

(2012) Ashok Kumar et al.   PHYSICA B-CONDENSED MATTER

A high-throughput infrastructure for density functional theory calculations

(2011) Anubhav Jain et al.   COMPUTATIONAL MATERIALS SCIENCE

High-Throughput Combinatorial Database of Electronic Band Structures for Inorganic Scintillator Materials

(2011) Wahyu Setyawan et al.   ACS Combinatorial Science

Data Mined Ionic Substitutions for the Discovery of New Compounds

(2010) Geoffroy Hautier et al.   INORGANIC CHEMISTRY