A unified deep neural network potential capable of predicting thermal conductivity of silicon in different phases
Ruiyang Li, Eungkyu Lee, Tengfei Luo
Topics & Concepts
Thermal conductivityMaterials scienceSiliconArtificial neural networkAb initioMolecular dynamicsPhase transitionWork (physics)Field (mathematics)ThermalPhase (matter)Amorphous solidForce field (fiction)Statistical physicsComputer scienceArtificial intelligenceThermodynamicsComputational chemistryPhysicsChemistryOptoelectronicsMathematicsComposite materialQuantum mechanicsPure mathematicsOrganic chemistryMachine Learning in Materials ScienceThermal properties of materialsSemiconductor materials and devices