4 papers
Clifford disentanglers for entanglement reduction in molecular electronic structure simulations
Longfei Chang, Zibo Wu, Yunzhi Li +5
Entanglement is a key bottleneck limiting the efficiency of tensor-network and quantum simulations of molecular electronic structures. Here, we systematically assess and extend Cli…
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…
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…
Large-scale Neural Network Quantum States for ab initio Quantum Chemistry Simulations on Fugaku
Hongtao Xu, Zibo Wu, Mingzhen Li +1
Solving quantum many-body problems is one of the fundamental challenges in quantum chemistry. While neural network quantum states (NQS) have emerged as a promising computational to…