297 citations · 874 across the 18 of their papers we have counts for
4 papers · 1 filter
Symmetry-Adapted High Dimensional Neural Network Representation of Electronic Friction Tensor of Adsorbates on Metals
Yaolong Zhang, Reinhard J. Maurer, Bin Jiang
Nonadiabatic effects in chemical reaction at metal surfaces, due to excitation of electron-hole pairs, stand at the frontier of the studies of gas-surface reaction dynamics. Howeve…
Embedded Atom Neural Network Potentials: Efficient and Accurate Machine Learning with a Physically Inspired Representation
Yaolong Zhang, Ce Hu, Bin Jiang
We propose a simple, but efficient and accurate machine learning (ML) model for developing high-dimensional potential energy surface. This so-called embedded atom neural network (E…
Strong Vibrational Relaxation of NO Scattered from Au(111): Importance of an Accurate Adiabatic Potential Energy Surface
Rongrong Yin, Yaolong Zhang, Bin Jiang
Experimental observations of multi-quantum relaxation of highly vibrationally excited NO scattering from Au(111) are a benchmark for the breakdown of Born-Oppenheimer approximation…
Adiabatic and Nonadiabatic Energy Dissipation during Scattering of Vibrationally Excited CO from Au(111)
Meng Huang, Xueyao Zhou, Yaolong Zhang +4
A high-dimensional potential energy surface (PES) for CO interaction with the Au(111) surface is developed using a machine-learning algorithm. Including both molecular and surface…