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physics.chem-ph2026
Spin-adapted neural network backflow for symmetry-preserving simulations of strongly correlated electrons
Yunzhi Li, Zibo Wu, Bohan Zhang +2
Strongly correlated molecules often contain dense manifolds of low-lying spin states, making total-spin symmetry essential for predictive electronic-structure theory. Neural-networ…
physics.chem-ph2025
Hybrid tensor network and neural network quantum states for quantum chemistry
Zibo Wu, Bohan Zhang, Wei-Hai Fang +1
Neural network quantum states (NQS) have emerged as a powerful and flexible framework for addressing quantum many-body problems. While successful for model Hamiltonians, their appl…