Xiaoyu Zhang

4PUBLICATIONS
2CO-AUTHORS
Statistical mechanics in chemistryTheoretical quantum chemistryMathematical aspects of general relativity
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Publications (4)

|Aug 31, 2026
End-to-End Differentiable Learning of a Single Functional for DFT and Linear-Response TDDFT.

|Apr 28, 2026
A Unified Formulation for ⟨Ŝ2⟩ in Two-Component TDDFT.

|Nov 10, 2025
Noncollinear Spin-Flip TDDFT for Potential Energy Surface Crossings: Conical Intersections and Spin Crossings.

Xiaoyu Zhang, Tai Wang, Yi Qin Gao

|Oct 03, 2025
Operator Formalism for Noncollinear Functionals in the Multicollinear Approach.

Xiaoyu Zhang, Taoni Bao

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Frequent Collaborators

1 joint publications

Tai Wang

1 joint publications

Yunlong Xiao