Accelerating Computational Materials Discovery with Machine Learning and Cloud High-Performance Computing: from Large-Scale Screening to Experimental Validation-Reference-Cited by-同舟云学术

Accelerating Computational Materials Discovery with Machine Learning and Cloud High-Performance Computing: from Large-Scale Screening to Experimental Validation

Published:2024-07-09 Issue:29 Volume:146 Page:20009-20018
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Chen Chi¹^ORCID,Nguyen Dan Thien²,Lee Shannon J.²,Baker Nathan A.¹,Karakoti Ajay S.²,Lauw Linda¹,Owen Craig³,Mueller Karl T.²^ORCID,Bilodeau Brian A.¹,Murugesan Vijayakumar²^ORCID,Troyer Matthias¹

Affiliation:

1. Azure Quantum, Microsoft, One Microsoft Way, Redmond, Washington 98052, United States

2. Pacific Northwest National Laboratory, Physical and Computational Sciences Directorate, 902 Battelle Blvd., Richland, Washington 99352, United States

3. Microsoft Surface, Microsoft, One Microsoft Way, Redmond, Washington 98052, United States

Funder

Environmental Molecular Sciences Laboratory

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/jacs.4c03849

Reference58 articles.

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

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

3. Materials Cloud, a platform for open computational science

4. Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals

Cited by 3 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Crystal Structure Prediction and Performance Assessment of Hydrogen Storage Materials: Insights from Computational Materials Science;Energies;2024-07-22

2. Chemically Driven Multistep Crystallization in the Synthesis of Sodium Yttrium Fluoride Via a Porous, Electrochemically Active Intermediate;The Journal of Physical Chemistry C;2024-07-09

3. Progress and perspectives on the development of inorganic nanofibres/nanowires for functional electrolytes of solid-state lithium metal batteries;Inorganic Chemistry Frontiers;2024