Exploring phononic properties of two-dimensional materials using machine learning interatomic potentials
Bohayra Mortazavi, Ivan S. Novikov, Evgeny V. Podryabinkin, Stephan Roche, Timon Rabczuk, Alexander V. Shapeev, Xiaoying Zhuang
Topics & Concepts
PhononNanoporousDensity functional theoryStability (learning theory)Dispersion (optics)Statistical physicsMaterials scienceDispersion relationThermalInteratomic potentialMolecular dynamicsThermal stabilityNanomaterialsPhysicsArtificial neural networkComputer scienceMaterial propertiesCondensed matter physicsDensity of statesYield (engineering)Computational physicsNumerical stabilityThermal properties of materialsMachine Learning in Materials ScienceAdvanced Thermoelectric Materials and Devices