Zhe Wang

Publication Activity (10 Years)

Years Active: 2023-2024
Publications (10 Years): 9

Top Topics

Molecular Dynamics Simulations

Molecularly Imprinted

Top Venues

Journal of chemical theory and computation

The Journal of chemical physics

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

Publications

Jie Li, Jiashu Liang, Zhe Wang, Aleksandra L Ptaszek, Xiao Liu, Brad Ganoe, Martin Head-Gordon, Teresa Head-Gordon
Highly Accurate Prediction of NMR Chemical Shifts from Low-Level Quantum Mechanics Calculations Using Machine Learning. Journal of chemical theory and computation 20 (5) (2024)
Jie Li, Jiashu Liang, Zhe Wang, Aleksandra L Ptaszek, Xiao Liu, Brad Ganoe, Martin Head-Gordon, Teresa Head-Gordon
Highly Accurate Prediction of NMR Chemical Shifts from Low-Level Quantum Mechanics Calculations Using Machine Learning. Journal of chemical theory and computation (2024)
Jie Li, Jiashu Liang, Zhe Wang, Aleksandra L Ptaszek, Xiao Liu, Brad Ganoe, Martin Head-Gordon, Teresa Head-Gordon
Highly Accurate Prediction of NMR Chemical Shifts from Low-Level Quantum Mechanics Calculations Using Machine Learning. Journal of chemical theory and computation 20 (5) (2024)
Jonathan Wong, Brad Ganoe, Xiao Liu, Tim Stauch, Joonho Lee, Jiashu Liang, Zhe Wang, Jie Li, Adam Rettig, Teresa Head-Gordon, Martin Head-Gordon
An in-silico NMR laboratory for nuclear magnetic shieldings computed via finite fields: Exploring nucleus-specific renormalizations of MP2 and MP3. The Journal of chemical physics 158 (16) (2023)
Jiashu Liang, Zhe Wang, Jie Li, Jonathan Wong, Xiao Liu, Brad Ganoe, Teresa Head-Gordon, Martin Head-Gordon
Efficient Calculation of NMR Shielding Constants Using Composite Method Approximations and Locally Dense Basis Sets. Journal of chemical theory and computation (2023)
Jonathan Wong, Brad Ganoe, Xiao Liu, Tim Stauch, Joonho Lee, Jiashu Liang, Zhe Wang, Jie Li, Adam Rettig, Teresa Head-Gordon, Martin Head-Gordon
An in-silico NMR laboratory for nuclear magnetic shieldings computed via finite fields: Exploring nucleus-specific renormalizations of MP2 and MP3. The Journal of chemical physics 158 (16) (2023)
Zhe Wang, Jiashu Liang, Martin Head-Gordon
Earth Mover's Distance as a Metric to Evaluate the Extent of Charge Transfer in Excitations Using Discretized Real-Space Densities. Journal of chemical theory and computation (2023)
Jonathan Wong, Brad Ganoe, Xiao Liu, Tim Stauch, Joonho Lee, Jiashu Liang, Zhe Wang, Jie Li, Adam Rettig, Teresa Head-Gordon, Martin Head-Gordon
An in-silico NMR laboratory for nuclear magnetic shieldings computed via finite fields: Exploring nucleus-specific renormalizations of MP2 and MP3. The Journal of chemical physics 158 (16) (2023)
Jiashu Liang, Zhe Wang, Jie Li, Jonathan Wong, Xiao Liu, Brad Ganoe, Teresa Head-Gordon, Martin Head-Gordon
Efficient Calculation of NMR Shielding Constants Using Composite Method Approximations and Locally Dense Basis Sets. Journal of chemical theory and computation (2023)