Shirong Wang

6PUBLICATIONS
98CO-AUTHORS
Formal methods for softwareTheoretical quantum chemistryChemical thermodynamics and energeticsStatistical mechanics in chemistryComputational chemistry
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Publications (6)

|Sep 10, 2026
The Python simulations of chemistry framework: 10 years of an open-source quantum chemistry project.

|May 19, 2026
Pair-Density Functional Theory Based on Spin-Projected Unrestricted Hartree-Fock Method: A Density-Corrected Version.

|May 01, 2026
Separated Energy Domains in the Sequential Hydration of a Benzonitrile Radical Cation.

|Jun 09, 2025
Pair-Density Functional Theory Based on the Spin-Projected Unrestricted Hartree-Fock Method.

Shirong Wang, Xin Xu

|Dec 15, 2023
Improving XYG3-type doubly hybrid approximation using self-interaction corrected SCAN density and orbitals via the PZ-SIC framework: The xDH@SCAN(SIC) approach.

Sheng Bi, Shirong Wang, Igor Ying Zhang

|Sep 07, 2021
Generalized energy-based fragmentation approach for calculations of solvation energies of large systems.

Kang Liao, Shirong Wang, Wei Li

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Frequent Collaborators

4 joint publications

Xin Xu

1 joint publications

Kang Liao

1 joint publications

Wei Li

1 joint publications

Shuhua Li