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physics.chem-ph2021
Learning Dipole Moments and Polarizabilities
Yaolong Zhang, Jun Jiang, Bin Jiang
Machine learning of scalar molecular properties such as potential energy has enabled widespread applications. However, there are relatively few machine learning models targeting di…
physics.chem-ph2020
Efficient and Accurate Simulations of Vibrational and Electronic Spectra with Symmetry-Preserving Neural Network Models for Tensorial Properties
Yaolong Zhang, Sheng Ye, Jinxiao Zhang +3
Machine learning has revolutionized the high-dimensional representations for molecular properties such as potential energy. However, there are scarce machine learning models target…