邓天琪 Tianqi Deng

Interactions among Electrons, Phonons, and Defects

prof_pic.jpg

ZJU100 Young Professor

Zhejiang University

dengtq@zju.edu.cn

Our research focuses on the semiconductor materials and their transport behaviors.

Leveraging upon the state-of-the-art computational methods and our in-house softwares, we study the electron/phonon dynamics and physical/chemical properties governed by interactions among electrons, phonons, and defects.

We also develop tools and workflows for high-throughput transport calculations, including electron and phonon scattering processes and transport properties calculations.

Some of our codes can be found in my GitHub and GitLab repositories.

selected publications

  1. npjCompMat
    Database and deep-learning scalability of anharmonic phonon properties by automated brute-force first-principles calculations
    Masato Ohnishi, Tianqi Deng, Pol Torres, and 15 more authors
    npj Computational Materials, 2026
  2. ActaPhys.Sin.
    Advances and Prospects in Thermal Transport Theory for Complex Semiconductors
    Jin Yang, Ruolin Zhao, Wee-Liat Ong, and 3 more authors
    Acta Physica Sinica, 2026
  3. NatChem
    Molecular contacts with an orthogonal π-skeleton induce amorphization to enhance perovskite solar cell performance
    Jingjing Zhou, Yixin Luo, Runda Li, and 28 more authors
    Nature Chemistry, 2025
  4. NatMater
    Iterative sublattice amorphization facilitates exceptional processability in inorganic semiconductors
    Yuechu Wang, Airan Li, Youran Hong, and 7 more authors
    Nature Materials, 2025
  5. Mater.Horiz.
    Electronic transport descriptors for the rapid screening of thermoelectric materials
    Tianqi Deng, Jose Recatala-Gomez, Masato Ohnishi, and 11 more authors
    Materials Horizons, 2021
  6. PRB
    Ab initio dipolar electron-phonon interactions in two-dimensional materials
    Tianqi Deng, Gang Wu*, Wen Shi, and 3 more authors
    Physical Review B, Feb 2021
  7. npjCompMat
    EPIC STAR: a reliable and efficient approach for phonon- and impurity-limited charge transport calculations
    Tianqi Deng, Gang Wu*, Michael B. Sullivan, and 4 more authors
    npj Computational Materials, 2020