An Efficient Scheme for Crystal Structure Prediction Based on Structural Motifs-Reference-Cited by-同舟云学术

An Efficient Scheme for Crystal Structure Prediction Based on Structural Motifs

Published:2017-05-22 Issue:21 Volume:121 Page:11891-11896
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Zhu Zizhong¹^ORCID,Wu Ping²,Wu Shunqing¹,Xu Linhan¹,Xu Yixu¹,Zhao Xin³,Wang Cai-Zhuang⁴,Ho Kai-Ming²³

Affiliation:

1. Collaborative Innovation Center for Optoelectronic Semiconductors and Efficient Devices, Department of Physics, Xiamen University, Xiamen 361005, China

2. International Center for Quantum Design of Functional Materials (ICQD), and Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026, China

3. Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011, United States

4. Ames Laboratory - US DOE, Ames, Iowa 50011, United States

Funder

Ministry of Science and Technology of the People's Republic of China

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.7b02486

Reference25 articles.

1. An adaptive genetic algorithm for crystal structure prediction

2. Ab initiorandom structure searching

3. Crystal structure prediction via particle-swarm optimization

4. Molecular Geometry Optimization with a Genetic Algorithm

5. Evolutionary crystal structure prediction as a tool in materials design

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