Electronic structure based descriptor for characterizing local atomic environments-Reference-Cited by-同舟云学术

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Electronic structure based descriptor for characterizing local atomic environments

Published:2018-10-03 Issue:14 Volume:98 Page:
ISSN:2469-9950
Container-title:Physical Review B
language:en
Short-container-title:Phys. Rev. B

Author:

Jenke Jan,Subramanyam Aparna P. A.,Densow Marc,Hammerschmidt Thomas,Pettifor David G.,Drautz Ralf

Funder

Deutsche Forschungsgemeinschaft

Publisher

American Physical Society (APS)

Link

http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.98.144102/fulltext

Reference60 articles.

1. Bond-orientational order in liquids and glasses

2. Accurate determination of crystal structures based on averaged local bond order parameters

3. Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons

4. On representing chemical environments

5. Atom-centered symmetry functions for constructing high-dimensional neural network potentials

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2. Parametrization protocol and refinement strategies for accurate and transferable analytic bond-order potentials: Application to Re;Physical Review Materials;2024-01-17

3. Roadmap on Machine learning in electronic structure;Electronic Structure;2022-06-01

4. Manifolds of quasi-constant SOAP and ACSF fingerprints and the resulting failure to machine learn four-body interactions;The Journal of Chemical Physics;2022-01-21

5. Electronic structural descriptors for hydrogen evolution and superior catalytic activity of graphene based structures;Applied Surface Science;2021-12

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