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Journal of Chemical Theory and Computation|January 8, 2025
SchrödingerNet: A Universal Neural Network Solver for the Schrödinger EquationYaolong Zhang, Bin Jiang, Hua GuoAnnual Review of Physical Chemistry|December 5, 2025
Dynamics of Surface Processes: Impact of Adiabatic and Nonadiabatic Energy DissipationGang Meng, Yaolong Zhang, Bin Jiang, et al.Physical Chemistry Chemical Physics : PCCP|February 16, 2021
Towards bridging the structure gap in heterogeneous catalysis: the impact of defects in dissociative chemisorption of methane on Ir surfacesXueyao Zhou, Yaolong Zhang, Hua Guo, et al.Faraday Discussions|February 28, 2019
Hot electron effects during reactive scattering of H2 from Ag(111): assessing the sensitivity to initial conditions, coupling magnitude, and electronic temperatureReinhard J Maurer, Yaolong Zhang, Hua Guo, et al.Chemical Science|February 19, 2019
Hot-electron effects during reactive scattering of H2 from Ag(111): the interplay between mode-specific electronic friction and the potential energy landscapeYaolong Zhang, Reinhard J Maurer, Hua Guo, et al.Nature Communications|October 12, 2023
Universal machine learning for the response of atomistic systems to external fieldsYaolong Zhang, Bin JiangChemical Science|January 7, 2026
Node-equivariant message passing for efficient and accurate machine learning interatomic potentialsYaolong Zhang, Hua GuoThe Journal of Physical Chemistry Letters|May 31, 2018
Dissociative Chemisorption of O2 on Al(111): Dynamics on a Correlated Wave-Function-Based Potential Energy SurfaceRongrong Yin, Yaolong Zhang, Florian Libisch, et al.Physical Chemistry Chemical Physics : PCCP|November 9, 2017
Dissociative chemisorption of methane on Ni(111) using a chemically accurate fifteen dimensional potential energy surfaceXueyao Zhou, Francesco Nattino, Yaolong Zhang, et al.The Journal of Physical Chemistry Letters|September 21, 2019
Strong Vibrational Relaxation of NO Scattered from Au(111): Importance of the Adiabatic Potential Energy SurfaceRongrong Yin, Yaolong Zhang, Bin JiangPageof 462