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About

Author
Che

I am Zheng Che, an M.Sc. student in chemical physics at the University of Science and Technology of China.

Note: I am open to PhD opportunities for Fall 2027. If our research interests align, feel free to reach out at wsmxcz@gmail.com

Research Interests
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My research aims to develop simple concepts, unified representations, rigorous theory, and efficient algorithms for quantum chemistry and quantum many-body systems.

  • Parameterized wavefunctions: Tensor networks, neural quantum states, and quantum circuits, with a focus on representational efficiency, variational geometry, and symmetry.
  • Stochastic theory: Stochastic and semi-stochastic methods that exploit sparsity, hierarchy, and importance structure in quantum many-body problems.
  • Hamiltonian representations: Real-space discretization, adaptive basis construction, and compact operator representations for electronic systems.
  • Quantum algorithms: Many-body quantum algorithms and coherent dynamics, including the conditions required for a practical quantum advantage.
  • Chemical theory: Abstract and effective models grounded in electronic structure, designed to yield clear and transferable chemical concepts.

Education
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  • University of Science and Technology of China — M.Sc. student in Chemical Physics, 2024–present
  • Lanzhou University, Cuiying Honors College — B.Sc. Honors in Chemistry, 2020–2024

Publications
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  1. Z. Che, “Importance-Reweighted Fock-Space Variational Monte Carlo,” arXiv:2608.22925 (2026). DOI
  2. Z. Che, “A Deterministic Framework for Neural Network Quantum States in Quantum Chemistry,” Journal of Chemical Theory and Computation (2026). DOI
  3. J.-F. Wu, L.-Y. Liang, Z. Che, Y.-T. Miao, and L. Chou, “Bimetallic Oxide Catalysts for CO₂ Hydrogenation to Methanol: Recent Advances and Challenges,” Chinese Journal of Catalysis 73, 62–78 (2025). DOI
  4. P.-Y. Liang et al., “Organocatalytic Synthesis of Chiral Allene Catalyzed by Chiral Phosphoric Acid via Asymmetric 1,8-Addition of Indole Imine Methide,” Molecular Catalysis 530, 112648 (2022). DOI

Open Source
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FockVMC is a research codebase for Fock-space variational Monte Carlo. (Now in active development)