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- Chinese Academy of SciencesCN55 papers
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6 papers · 1 filter
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange
Matthew L. Evans, Johan Bergsma, Andrius Merkys +56
The Open Databases Integration for Materials Design (OPTIMADE) application programming interface (API) empowers users with holistic access to a growing federation of databases, enh…
MatChat: A Large Language Model and Application Service Platform for Materials Science
Ziyi Chen, Fankai Xie, Meng Wan +5
The prediction of chemical synthesis pathways plays a pivotal role in materials science research. Challenges, such as the complexity of synthesis pathways and the lack of comprehen…
A universal model for the formation energy prediction of inorganic compounds
Yingzong Liang, Mingwei Chen, Yanan Wang +5
Harnessing the recent advance in data science and materials science, it is feasible today to build predictive models for materials properties. In this study, we employ the data of…
OPTIMADE, an API for exchanging materials data
Casper W. Andersen, Rickard Armiento, Evgeny Blokhin +53
The Open Databases Integration for Materials Design (OPTIMADE) consortium has designed a universal application programming interface (API) to make materials databases accessible an…
Catalogue of Topological Electronic Materials
Tiantian Zhang, Yi Jiang, Zhida Song +5
Topological electronic materials are new quantum states of matter hosting novel linear responses in the bulk and anomalous gapless states at the boundary, and are for scientific an…
Stick-Slip Control in Nanoscale Boundary Lubrication by Surface Wettability
Wei Chen, Adam S. Foster, Mikko J. Alava +1
We study the effect of atomic scale surface-lubricant interactions on nanoscale boundary-lubricated friction, by considering two example surfaces - hydrophilic mica and hydrophobic…