Zhe Wang

6PUBLICATIONS
14CO-AUTHORS
Computational complexity and computabilityTheoretical quantum chemistryCondensed matter modelling and density functional theoryMathematical aspects of general relativityRadiation and matter
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Publications (6)

|Mar 20, 2026
An Algorithm for Atom-Centered Lossy Compression of the Atomic Orbital Basis in Density Functional Theory Calculations.

Anthony O Lara, Justin J Talbot, Zhe Wang

|Oct 27, 2025
More Numerical Precision for Less Compute Cost: Optimizing a Local Correlation Algorithm for Second Order Møller-Plesset Theory and Comparing against Pair Natural Orbital Methods.

Zhenling Wang, Haobo Ling, Tianyi Shi

|Feb 08, 2024
Highly Accurate Prediction of NMR Chemical Shifts from Low-Level Quantum Mechanics Calculations Using Machine Learning.

Jie Li, Jiashu Liang, Zhe Wang

|Nov 03, 2023
Earth Mover's Distance as a Metric to Evaluate the Extent of Charge Transfer in Excitations Using Discretized Real-Space Densities.

Zhe Wang, Jiashu Liang, Martin Head-Gordon

|Apr 28, 2023
An in-silico NMR laboratory for nuclear magnetic shieldings computed via finite fields: Exploring nucleus-specific renormalizations of MP2 and MP3.

Jonathan Wong, Brad Ganoe, Xiao Liu

|Jan 03, 2023
Efficient Calculation of NMR Shielding Constants Using Composite Method Approximations and Locally Dense Basis Sets.

Jiashu Liang, Zhe Wang, Jie Li

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Frequent Collaborators

6 joint publications

Martin Head-Gordon

4 joint publications

Jiashu Liang

3 joint publications

Jie Li

3 joint publications

Teresa Head-Gordon