13 papers
Optimization dynamics of Transformer backflow neural quantum states for the two-dimensional Hubbard model
Zong-Yu Liao, Jia-Qi Wang, Rong-Qiang He +1
The paper studies how various hyperparameters affect the training dynamics of a Transformer‑based neural quantum state ansatz for the two‑dimensional Hubbard model, using a multi‑s…
: An open-source quantum impurity solver package based on the natural orbitals renormalization group
Jia-Ming Wang, Yi-Heng Tian, Yin Chen +3
The paper introduces iNORG, an open‑source software package that implements the natural orbitals renormalization group method to provide an efficient quantum impurity solver for dy…
Layer-resolved Electronic Structure and Correlation of Low- Square-planar Nickelates: A DFT+DMFT Prediction of Superconducting Candidates
Jian-Hong She, Rong-Qiang He, Zhong-Yi Lu
Multi-layer square-planar nickelates provide a rare platform in which the nominal Ni valence, dimensionality, and layer-resolved electronic structure can be tuned within the same s…
NQS-Agent: Health-Aware Agentic Hyperparameter Optimization for Neural-Network Quantum States
Jia-Qi Wang, Xiao-Qi Han, Ze-Feng Gao +2
Neural-network quantum states (NQS) provide expressive variational representations for strongly correlated quantum many-body systems, but their practical accuracy depends sensitive…
Prediction of several Co-based LaNiO-like superconducting materials
Jing-Xuan Wang, Yi-Heng Tian, Jian-Hong She +2
High-temperature superconductivity has been found in Fe-, Ni-, and Cu-based compounds but has remained elusive in Co-based materials. The recent discovery of superconductivity in p…
Generalized Lanczos method for systematic optimization of neural-network quantum states
Jia-Qi Wang, Rong-Qiang He, Zhong-Yi Lu
Recently, artificial intelligence for science has made significant inroads into various fields of natural science research. In the field of quantum many-body computation, researche…