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- The Institute of Statistical MathematicsJP23 papers
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5 papers · 1 filter
RadonPy: Automated Physical Property Calculation using All-atom Classical Molecular Dynamics Simulations for Polymer Informatics
Yoshihiro Hayashi, Junichiro Shiomi, Junko Morikawa +1
The rapid growth of data-driven materials research has made it necessary to develop systematically designed, open databases of material properties. However, there are few open data…
Crystal structure prediction with machine learning-based element substitution
Minoru Kusaba, Chang Liu, Ryo Yoshida
The prediction of energetically stable crystal structures formed by a given chemical composition is a central problem in solid-state physics. In principle, the crystalline state of…
Descriptors of intrinsic hydrodynamic thermal transport: screening a phonon database in a machine learning approach
Pol Torres, Stephen Wu, Shenghong Ju +4
Machine learning techniques are used to explore the intrinsic origins of the hydrodynamic thermal transport and to find new materials interesting for science and engineering. The h…
Exploring diamond-like lattice thermal conductivity crystals via feature-based transfer learning
Shenghong Ju, Ryo Yoshida, Chang Liu +3
Ultrahigh lattice thermal conductivity materials hold great importance since they play a critical role in the thermal management of electronic and optical devices. Models using mac…
Data augmentation in microscopic images for material data mining
Boyuan Ma, Xiaoyan Wei, Chuni Liu +10
Recent progress in material data mining has been driven by high-capacity models trained on large datasets. However, collecting experimental data (real data) has been extremely cost…