Yang Liu

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 15

Top Topics

Molecular Dynamics Simulations

Density Functional Theory

Machine Learning

Top Venues

Proceedings of the National Academy of Sciences of the United States of America

The journal of physical chemistry. A

Journal of the American Chemical Society

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Yang Liu, Milan Ončák, Jennifer Meyer, Shaun G Ard, Nicholas S Shuman, Albert A Viggiano, Hua Guo
Intersystem Crossing Control of the Nb + + CO 2 → NbO + + CO Reaction. The journal of physical chemistry. A 128 (33) (2024)
Yang Liu, Pablo G Jambrina, James F E Croft, Naduvalath Balakrishnan, F Javier Aoiz, Hua Guo
New Full-Dimensional Reactive Potential Energy Surface for the H 4 System. Journal of chemical theory and computation 20 (5) (2024)
Dao-Fu Yuan, Yang Liu, Tarek Trabelsi, Yue-Rou Zhang, Jun Li, Joseph S Francisco, Hua Guo, Lai-Sheng Wang
Probing the dynamics and bottleneck of the key atmospheric SO 2 oxidation reaction by the hydroxyl radical. Proceedings of the National Academy of Sciences of the United States of America 121 (6) (2024)
Dao-Fu Yuan, Yang Liu, Tarek Trabelsi, Yue-Rou Zhang, Jun Li, Joseph S Francisco, Hua Guo, Lai-Sheng Wang
Probing the dynamics and bottleneck of the key atmospheric SO 2 oxidation reaction by the hydroxyl radical. Proceedings of the National Academy of Sciences of the United States of America 121 (6) (2024)
Yang Liu, Milan Ončák, Jennifer Meyer, Shaun G Ard, Nicholas S Shuman, Albert A Viggiano, Hua Guo
Multistate Dynamics and Kinetics of CO 2 Activation by Ta + in the Gas Phase: Insights into Single-Atom Catalysis. Journal of the American Chemical Society 146 (20) (2024)
Yang Liu, Milan Ončák, Jennifer Meyer, Shaun G Ard, Nicholas S Shuman, Albert A Viggiano, Hua Guo
Intersystem Crossing Control of the Nb + + CO 2 → NbO + + CO Reaction. The journal of physical chemistry. A (2024)
Dao-Fu Yuan, Yang Liu, Tarek Trabelsi, Yue-Rou Zhang, Jun Li, Joseph S Francisco, Hua Guo, Lai-Sheng Wang
Probing the dynamics and bottleneck of the key atmospheric SO 2 oxidation reaction by the hydroxyl radical. Proceedings of the National Academy of Sciences of the United States of America 121 (6) (2024)
Yang Liu, Milan Ončák, Jennifer Meyer, Shaun G Ard, Nicholas S Shuman, Albert A Viggiano, Hua Guo
Multistate Dynamics and Kinetics of CO 2 Activation by Ta + in the Gas Phase: Insights into Single-Atom Catalysis. Journal of the American Chemical Society (2024)
Dao-Fu Yuan, Yang Liu, Tarek Trabelsi, Yue-Rou Zhang, Jun Li, Joseph S Francisco, Hua Guo, Lai-Sheng Wang
Probing the dynamics and bottleneck of the key atmospheric SO 2 oxidation reaction by the hydroxyl radical. Proceedings of the National Academy of Sciences of the United States of America 121 (6) (2024)
Yang Liu, Pablo G Jambrina, James F E Croft, Naduvalath Balakrishnan, F Javier Aoiz, Hua Guo
New Full-Dimensional Reactive Potential Energy Surface for the H 4 System. Journal of chemical theory and computation (2024)
Yang Liu, Hua Guo
A Gaussian Process Based Δ-Machine Learning Approach to Reactive Potential Energy Surfaces. The journal of physical chemistry. A (2023)
Jia Li, Yang Liu, Hua Guo, Jun Li
An accurate full-dimensional H 4 O potential energy surface and dynamics of an exchange reaction. Physical chemistry chemical physics : PCCP 24 (44) (2022)
Yang Liu, Jun Li
Permutation-Invariant-Polynomial Neural-Network-Based Δ-Machine Learning Approach: A Case for the HO 2 Self-Reaction and Its Dynamics Study. The journal of physical chemistry letters 13 (21) (2022)
Peter M Felker, Yang Liu, Jun Li, Zlatko Bačić
DCl-H2O, HCl-D2O, and DCl-D2O Dimers: Inter- and Intramolecular Vibrational States and Frequency Shifts from Fully Coupled Quantum Calculations on a Full-Dimensional Neural Network Potential Energy Surface. The journal of physical chemistry. A 125 (29) (2021)
Yang Liu, Hongwei Song, Dai-Qian Xie, Jun Li, Hua Guo
Mode Specificity in the OH + HO2 → H2O + O2 Reaction: Enhancement of Reactivity by Exciting a Spectator Mode. Journal of the American Chemical Society 142 (7) (2020)