Published in arxiv, 2023
A deep learning package for tight-binding approach with $ab$ $initio$ accuracy.
Recommended citation: Gu, Qiangqiang, et al. "DeePTB: A deep learning-based tight-binding approach with $ ab $ $ initio $ accuracy." arXiv preprint arXiv:2307.04638 (2023). http://floatingCatty.github.io/files/2307.04635.pdf
Published in arxiv, 2022
We implement a quantum transport simulator based on Non-equilibrium Green’s Function with PyTorch, and customly design the gradient computation.
Recommended citation: Zhou, Yingzhanghao, et al. "AD-NEGF: An End-to-End Differentiable Quantum Transport Simulator for Sensitivity Analysis and Inverse Problems." arXiv preprint arXiv:2202.05098 (2022). http://floatingCatty.github.io/files/2202.05098.pdf
Published in arxiv, 2021
We design a metric to estimating information entropy in neural networks.
Recommended citation: Zhouyin, Zhanghao, and Ding Liu. "Understanding neural networks with logarithm determinant entropy estimator." arXiv preprint arXiv:2105.03705 (2021). http://floatingCatty.github.io/files/2105.03705.pdf