Xubo Wang

8PUBLICATIONS
114CO-AUTHORS
Formal methods for softwareProteins and peptidesRadiation and matterTheoretical quantum chemistryPolymerisation mechanisms
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Publications (8)

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

|Jul 24, 2026
Sequence-dependent generation of pancake π-dimer anions with peptide-flanked perylene diimides.

|Apr 14, 2026
Relativistic Complete Active Space Self-Consistent-Field Method with a Hierarchy of Exact Two-Component Hamiltonians.

Xubo Wang, Sen Wang, Yixuan Wu

|Dec 30, 2025
Relativistic core-valence-separated equation-of-motion coupled-cluster singles and doubles method: Efficient implementation and benchmark calculations.

Yixuan Wu, Zhe Lin, Xubo Wang

|Nov 18, 2025
Reduced-cost relativistic equation-of-motion coupled cluster method based on frozen natural spinors: A state-specific approach.

Tamoghna Mukhopadhyay, Mrinal Thapa, Somesh Chamoli

|Apr 23, 2025
Frozen Natural Spinors for Cholesky Decomposition-Based Two-Component Relativistic Coupled Cluster Method.

Somesh Chamoli, Xubo Wang, Chaoqun Zhang

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Frequent Collaborators

3 joint publications

Sandeep Sharma

3 joint publications

Lan Cheng

2 joint publications

Achintya Kumar Dutta

2 joint publications

Chaoqun Zhang