Automated crystal structure solution from powder diffraction data: Validation of the first-principles-assisted structure solution method-Reference-Cited by-同舟云学术

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Automated crystal structure solution from powder diffraction data: Validation of the first-principles-assisted structure solution method

Published:2017-11-27 Issue:6 Volume:1 Page:
ISSN:2475-9953
Container-title:Physical Review Materials
language:en
Short-container-title:Phys. Rev. Materials

Author:

Ward Logan,Michel Kyle,Wolverton Chris

Funder

U.S. Department of Commerce

U.S. Department of Energy

Basic Energy Sciences

Air Force Research Laboratory

National Science Foundation

Publisher

American Physical Society (APS)

Subject

Physics and Astronomy (miscellaneous),General Materials Science

Link

http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevMaterials.1.063802/fulltext

Reference63 articles.

1. Toward Computational Materials Design: The Impact of Density Functional Theory on Materials Research

2. The high-throughput highway to computational materials design

3. Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD)

4. Carbonophosphates: A New Family of Cathode Materials for Li-Ion Batteries Identified Computationally

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

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2. A Machine‐Learning‐Based Approach for Solving Atomic Structures of Nanomaterials Combining Pair Distribution Functions with Density Functional Theory;Advanced Materials;2023-02-12

3. Solving inorganic crystal structures from X-ray powder diffraction using a generative first-principles framework;Computational Materials Science;2022-11

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