Yang Yang

Machine learning molecular conformational energies using semi-local density fingerprints

Range-separated hybrid functional pseudopotentials

Semi-Local Density Fingerprints for Machine Learning Molecular Properties, Intra-/Inter-molecular Interactions, and Chemical Reactions

Machine learning the molecular dipole moment with atomic partial charges and atomic dipoles

Accurate Molecular Polarizabilities with Coupled Cluster Theory and Machine Learning

Enabling Linear Scaling Exact Exchange for Heterogeneous Systems

Designer Potential Energy Surfaces via Magnetic Interactions

Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles