Benchmarking density functional perturbation theory to enable high-throughput screening of materials for dielectric constant and refractive index-Reference-Cited by-同舟云学术

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Benchmarking density functional perturbation theory to enable high-throughput screening of materials for dielectric constant and refractive index

Published:2016-03-31 Issue:11 Volume:93 Page:
ISSN:2469-9950
Container-title:Physical Review B
language:en
Short-container-title:Phys. Rev. B

Author:

Petousis Ioannis,Chen Wei,Hautier Geoffroy,Graf Tanja,Schladt Thomas D.,Persson Kristin A.,Prinz Fritz B.

Funder

U.S. Department of Energy

Basic Energy Sciences

Publisher

American Physical Society (APS)

Link

http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.93.115151/fulltext

Reference56 articles.

1. From the computer to the laboratory: materials discovery and design using first-principles calculations

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

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

4. AFLOW: An automatic framework for high-throughput materials discovery

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