190 citations · 2.3k across the 53 of their papers we have counts for
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ALATDYN: a set of Anharmonic LATtice DYNamics codes to compute thermodynamic and thermal transport properties of crystalline solids
Keivan Esfarjani, Harold Stokes, Safoura Nayeb Sadeghi +6
We introduce a lattice dynamics package which calculates elastic, thermodynamic and thermal transport properties of crystalline materials from data on their force and potential ene…
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…
Phase-transition-induced giant Thomson effect for thermoelectric cooling
Rajkumar Modak, Masayuki Murata, Dazhi Hou +7
The Seebeck and Peltier effects have been widely studied and used in various thermoelectric technologies, including thermal energy harvesting and solid-state heat pumps. However, b…
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…
Machine Learning-Assisted Exploration of Thermally Conductive Polymers Based on High-Throughput Molecular Dynamics Simulations
Ruimin Ma, Hanfeng Zhang, Jiaxin Xu +4
Finding amorphous polymers with higher thermal conductivity is important, as they are ubiquitous in heat transfer applications. With recent progress in material informatics, machin…
Anharmonic phonon renormalization and thermal transport in the type-I BaGaSn clathrate from first principles
Masato Ohnishi, Terumasa Tadano, Shinji Tsuneyuki +1
Effects of strong phonon anharmonicity of a type-I clathrate BaGaSn induced by quadruple-well potential of guest atoms were investigated. Phonon tra…