{
  "name": "Research and software by Zhanghao Zhouyin",
  "person": {
    "name": "Zhanghao Zhouyin",
    "url": "https://floatingcatty.github.io/",
    "scholar": "https://scholar.google.com/citations?user=vSMmfvUAAAAJ",
    "github": "https://github.com/floatingCatty"
  },
  "items": [
  
    {
      "url": "https://floatingcatty.github.io/research/ad-negf/",
      "type": "research",
      "title_en": "AD-NEGF: differentiable quantum transport calculations",
      "title_zh": "AD-NEGF：可微的量子输运计算",
      "description_en": "AD-NEGF computes gradients through tight-binding quantum-transport calculations for sensitivity analysis and inverse Hamiltonian design.",
      "description_zh": "AD-NEGF 为紧束缚量子输运计算增加梯度，用于灵敏度分析和哈密顿量逆向设计。",
      "paper_url": "https://doi.org/10.1103/PhysRevB.108.195143",
      "code_url": "https://github.com/floatingCatty/ADNEGF"
    },
  
    {
      "url": "https://floatingcatty.github.io/research/deeptb/",
      "type": "research",
      "title_en": "DeePTB: machine learning for large-scale electronic structure",
      "title_zh": "DeePTB：用机器学习做大规模电子结构计算",
      "description_en": "DeePTB learns environment-dependent tight-binding parameters from first-principles calculations to study the electronic structure of large materials.",
      "description_zh": "DeePTB 从第一性原理结果中学习随原子环境变化的紧束缚参数，用于大规模材料的电子结构计算。",
      "paper_url": "https://www.nature.com/articles/s41467-024-51006-4",
      "code_url": "https://github.com/deepmodeling/DeePTB"
    },
  
    {
      "url": "https://floatingcatty.github.io/research/ferh-magnetism/",
      "type": "research",
      "title_en": "Exchange-correlation functionals and magnetism in FeRh",
      "title_zh": "FeRh 中交换关联泛函对磁性的影响",
      "description_en": "A note on why density-functional predictions of magnetism in FeRh change with lattice constant and exchange-correlation functional.",
      "description_zh": "关于 FeRh 合金的磁性预测为什么依赖晶格常数和 DFT 交换关联泛函。",
      "paper_url": "https://doi.org/10.1016/j.commatsci.2024.113561",
      "code_url": ""
    },
  
    {
      "url": "https://floatingcatty.github.io/research/logdet-entropy/",
      "type": "research",
      "title_en": "LogDet: estimating information in neural networks",
      "title_zh": "LogDet：用矩阵估计神经网络里的信息量",
      "description_en": "The LogDet entropy estimator measures high-dimensional information using matrix operations and was applied to the analysis of neural networks.",
      "description_zh": "LogDet 熵估计器利用矩阵运算处理高维数据，用于分析神经网络特征中的信息变化。",
      "paper_url": "https://doi.org/10.1016/j.neucom.2025.131520",
      "code_url": ""
    },
  
    {
      "url": "https://floatingcatty.github.io/research/moire-phonon/",
      "type": "research",
      "title_en": "Moiré phonon condensation in twisted bilayer graphene",
      "title_zh": "魔角石墨烯里的声子凝聚",
      "description_en": "A note on moiré phonon condensation, soft modes, and structural reconstruction in magic-angle twisted bilayer graphene.",
      "description_zh": "关于魔角双层石墨烯结构重构、软声子模式和莫尔声子凝聚的一些计算与想法。",
      "paper_url": "https://arxiv.org/abs/2607.06711",
      "code_url": ""
    },
  
    {
      "url": "https://floatingcatty.github.io/research/nqs-impurity/",
      "type": "research",
      "title_en": "Neural quantum states for quantum embedding",
      "title_zh": "用神经网络求解量子嵌入里的杂质问题",
      "description_en": "A research note on a neural-quantum-state impurity solver in ghost Gutzwiller quantum embedding and its sampling bottleneck.",
      "description_zh": "用神经量子态求解 ghost Gutzwiller 量子嵌入中的杂质模型，以及高精度采样带来的计算开销。",
      "paper_url": "https://doi.org/10.1103/rkd8-q6yl",
      "code_url": ""
    },
  
    {
      "url": "https://floatingcatty.github.io/research/slem/",
      "type": "research",
      "title_en": "SLEM: predicting quantum operators from atomic structures",
      "title_zh": "SLEM：从原子结构预测量子算符",
      "description_en": "SLEM uses local, rotation-equivariant representations to predict quantum-operator matrices from atomic structures.",
      "description_zh": "SLEM 利用局域性和旋转等变性，从原子结构预测哈密顿量、重叠矩阵等量子算符。",
      "paper_url": "https://arxiv.org/abs/2407.06053",
      "code_url": ""
    },
  
    {
      "url": "https://floatingcatty.github.io/research/vbcsr/",
      "type": "software",
      "title_en": "VBCSR: distributed sparse matrices for scientific computing",
      "title_zh": "VBCSR：给大规模稀疏矩阵写的一套工具",
      "description_en": "VBCSR is a distributed variable-block sparse matrix library for electronic-structure and scientific computing workloads, with MPI and thresholded matrix products.",
      "description_zh": "VBCSR 是一套支持 MPI 的变块稀疏矩阵工具，面向电子结构计算和其他科学计算任务。",
      "paper_url": "",
      "code_url": "https://github.com/DeepElectron/vbcsr"
    },
  
    {
      "url": "https://floatingcatty.github.io/research/flower/",
      "type": "software",
      "title_en": "flower: keeping scientific-agent calculations reproducible",
      "title_zh": "flower：把 Agent 跑过的计算整理清楚",
      "description_en": "flower records scientific-agent computation plans, runs and outputs, and exports reproducible protocols across local machines, SSH and Slurm.",
      "description_zh": "flower 记录科学计算 Agent 的任务、运行和结果，并整理成可以重复运行的计算流程。",
      "paper_url": "",
      "code_url": "https://github.com/floatingCatty/flower"
    }
  
  ]
}