Accelerated computation of lattice thermal conductivity using neural network interatomic potentials
Jeong Min Choi, Kyeongpung Lee, Sangtae Kim, Minseok Moon, Wonseok Jeong, Seungwu Han
Topics & Concepts
Thermal conductivityDensity functional theoryLattice (music)Statistical physicsComputationArtificial neural networkTest setLattice Boltzmann methodsThermalInteratomic potentialComputer scienceMaterials scienceAlgorithmMolecular dynamicsMachine learningCondensed matter physicsComputational physicsPhysicsThermodynamicsComputational chemistryChemistryAcousticsMachine Learning in Materials ScienceThermal properties of materialsAdvanced Thermoelectric Materials and Devices