Organic materials database: An open-access online database for data mining

Reproducibility in density functional theory calculations of solids

(2016) K. Lejaeghere et al.   SCIENCE

Prediction of Stable Nitride Perovskites

(2015) Rafael Sarmiento-Pérez et al.   CHEMISTRY OF MATERIALS

Computational 2D Materials Database: Electronic Structure of Transition-Metal Dichalcogenides and Oxides

(2015) Filip A. Rasmussen et al.   Journal of Physical Chemistry C

Chromium point defects in hexagonalBaTiO3: A comparative study of first-principles calculations and experiments

(2015) Sanjeev K. Nayak et al.   PHYSICAL REVIEW B

Density functional theory: Its origins, rise to prominence, and future

(2015) R. O. Jones   REVIEWS OF MODERN PHYSICS

Dirac materials

(2014) T.O. Wehling et al.   ADVANCES IN PHYSICS

The high-throughput highway to computational materials design

(2013) Stefano Curtarolo et al.   NATURE MATERIALS

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

(2013) Anubhav Jain et al.   APL Materials

Flexible and Stretchable Electronics for Biointegrated Devices

(2012) Dae-Hyeong Kim et al.   Annual Review of Biomedical Engineering

AFLOW: An automatic framework for high-throughput materials discovery

(2012) Stefano Curtarolo et al.   COMPUTATIONAL MATERIALS SCIENCE

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

(2012) Stefano Curtarolo et al.   COMPUTATIONAL MATERIALS SCIENCE

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

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

Massively parallel density functional calculations for thousands of atoms: KKRnano

(2012) A. Thiess et al.   PHYSICAL REVIEW B

Flexible Electronics: The Next Ubiquitous Platform

(2012) A. Nathan et al.   PROCEEDINGS OF THE IEEE

A high-throughput infrastructure for density functional theory calculations

(2011) Anubhav Jain et al.   COMPUTATIONAL MATERIALS SCIENCE

Crystallography Open Database (COD): an open-access collection of crystal structures and platform for world-wide collaboration

(2011) Saulius Gražulis et al.   NUCLEIC ACIDS RESEARCH

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

(2011) Wahyu Setyawan et al.   ACS Combinatorial Science

Efficient Band Gap Prediction for Solids

(2010) M. K. Y. Chan et al.   PHYSICAL REVIEW LETTERS

Crystallography Open Database – an open-access collection of crystal structures

(2009) Saulius Gražulis et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Focus on Organic Conductors

(2009) Shinya Uji et al.   SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS

Data mining and accelerated electronic structure theory as a tool in the search for new functional materials

(2008) C. Ortiz et al.   COMPUTATIONAL MATERIALS SCIENCE

Ab-initiosimulations of materials using VASP: Density-functional theory and beyond

(2008) Jürgen Hafner   JOURNAL OF COMPUTATIONAL CHEMISTRY

Direct Observation ofd-Wave Superconducting Gap in κ-(BEDT-TTF)2Cu[N(CN)2]Br with Scanning Tunneling Microscopy

(2008) Koichi Ichimura et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN