A neural network potential with rigorous treatment of long-range dispersion
Nguyễn Thiên Phúc Từ, Nazanin Rezajooei, Erin R. Johnson, Christopher N. Rowley
Abstract
MLXDM: Machine Learned eXchange-hole Dipole Moment dispersion correction for Neural Network Potentials.
Topics & Concepts
Artificial neural networkRange (aeronautics)Dispersion (optics)Computer scienceArtificial intelligencePhysicsMaterials scienceOpticsComposite materialMachine Learning in Materials ScienceNuclear Physics and ApplicationsQuantum, superfluid, helium dynamics