论文Publications

Neural-Quantum-States Impurity Solver for Quantum Embedding Problems

A graph-transformer neural-quantum-states impurity solver for the ghost Gutzwiller quantum embedding framework, benchmarked against exact diagonalization on ...

Deep learning tight-binding approach for large-scale electronic simulations at finite temperatures with ab initio accuracy

DeePTB: an efficient deep learning tight-binding approach with ab initio accuracy, enabling million-atom electronic simulations at finite temperatures.

Learning local equivariant representations for quantum operators

SLEM: a strictly-localized equivariant neural network that predicts DFT quantum operators (Hamiltonian, overlap and density matrices) with high accuracy, str...

Automatic differentiable nonequilibrium Green's function formalism: An end-to-end differentiable quantum transport simulator

An end-to-end differentiable Non-equilibrium Green's Function quantum transport simulator implemented in PyTorch, providing gradients for sensitivity analysi...

Understanding Neural Networks with Logarithm Determinant Entropy Estimator

We design a metric to estimating information entropy in neural networks.