Machine learned interatomic potentials for modeling interfacial heat transport in Ge/GaAs
Spencer Wyant, Andrew Rohskopf, Asegun Henry
Topics & Concepts
Interatomic potentialAnharmonicityWork (physics)Molecular dynamicsInterface (matter)Statistical physicsForce constantStability (learning theory)ChemistryAb initioLennard-Jones potentialThermodynamicsComputer scienceCondensed matter physicsComputational chemistryPhysicsSurface tensionMoleculeOrganic chemistryGibbs isothermMachine learningThermal properties of materialsMachine Learning in Materials ScienceAdvanced Thermoelectric Materials and Devices