196 citations · 482 across the 10 of their papers we have counts for
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Determining the effect of hot electron dissipation on molecular scattering experiments at metal surfaces
Connor L. Box, Yaolong Zhang, Rongrong Yin +2
Nonadiabatic effects that arise from the concerted motion of electrons and atoms at comparable energy and time scales are omnipresent in thermal and light-driven chemistry at metal…
Higher-Order Weyl Semimetals
Hai-Xiao Wang, Zhi-Kang Lin, Bin Jiang +2
Higher-order topology yields intriguing multidimensional topological phenomena, while Weyl semimetals have unconventional properties such as chiral anomaly. However, so far, Weyl p…
Accelerating Atomistic Simulations with Piecewise Machine Learned Ab Initio Potentials at Classical Force Field-like Cost
Yaolong Zhang, Ce Hu, Bin Jiang
Machine learning methods have nowadays become easy-to-use tools for constructing high-dimensional interatomic potentials with ab initio accuracy. Although machine learned interatom…
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…
Automatically growing global reactive neural network potential energy surfaces: a trajectory free active learning strategy
Qidong Lin, Yaolong Zhang, Bin Zhao +1
An efficient and trajectory-free active learning method is proposed to automatically sample data points for constructing globally accurate reactive potential energy surfaces (PESs)…