Thermal conductivity calculation based on Green–Kubo formula using ANN potential for β-Ag2Se
Yusuke Takeshita, Kohei Shimamura, Shogo Fukushima, Akihide Koura, Fuyuki Shimojo
Topics & Concepts
Molecular dynamicsInteratomic potentialThermal conductivityArtificial neural networkStatistical physicsLattice (music)ThermodynamicsComputer scienceMaterials sciencePhysicsChemistryComputational chemistryMachine learningAcousticsMachine Learning in Materials ScienceAdvanced Thermoelectric Materials and DevicesPhase-change materials and chalcogenides