MPInterfaces: A Materials Project based Python tool for high-throughput computational screening of interfacial systems

出版年份 2016 全文链接

标题

作者

关键词

Materials Genome Initiative, 2D materials, Interfaces, Substrates, Heterostructures, Ligands, Nanocrystals, Wulff construction, Workflows, Density-functional theory, MPInterfaces

出版物

COMPUTATIONAL MATERIALS SCIENCE

Volume 122, Issue -, Pages 183-190

出版商

Elsevier BV

发表日期

2016-06-01

DOI

10.1016/j.commatsci.2016.05.020

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