Yichi Zhang

4PUBLICATIONS
5CO-AUTHORS
Statistical mechanics, physical combinatorics and mathematical aspects of condensed matterMetal cluster chemistryTheoretical quantum chemistryF-block chemistry
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Publications (4)

|Jan 15, 2026
Optimization of Grand-Canonical Self-Consistent Field across Manifolds with Varying Occupation Spaces.

Yichi Zhang, Jiaxin Chen

|Nov 13, 2025
Tetrahedral 4c-2e and Trigonal-Bipyramidal 5c-2e Bonds in Actinide-Containing Clusters with Quasi-Lewis Structures Identified via an Orbital Alignment and Localization Scheme.

Jiaxin Chen, Yichi Zhang, Shu-Xian Hu

|Aug 25, 2025
Navigating the Electronic Grand Potential Surface with Analytical Nuclear Derivatives of Grand-Canonical Density-Functional Theory.

Yichi Zhang, Ka Lok Chan, Fu Kit Sheong

|Dec 10, 2024
Natural Fragment Bond Orbital Method for Interfragment Bonding Interaction Analysis.

Yichi Zhang, Fu Kit Sheong, Zhenyang Lin

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Frequent Collaborators

2 joint publications

Fu Kit Sheong

2 joint publications

Zhenyang Lin

2 joint publications

Jiaxin Chen

1 joint publications

Ka Lok Chan