About

About

Hi, I am Min-Ye. I am currently a postdoctorate fellow of the theory department at Institute of Physics, Chinese Academy of Sciences, and now visiting the NOMAD Laboratory at the Fritz Haber Institute of Max Planck Society since February 2023. I obtained my doctorate degree in physical chemistry from College of Chemistry and Molecular Engineering at Peking University in 2021, advised by Professor Hong Jiang.

My current researches focus on the development and application of advanced electronic structure methods to facilitate designs of functional materials. Below are the projects I am working on:

  • FHI-aims: first-principles simulation program using numeric atom-centered orbitals.
  • LibRPA: toolkit for Green’s function methods in localized orbital framework.
  • mushroom: Python package and scripts for pre- and post-processing of first-principles calculations.

In my spare time I enjoy playing basketball and softball, reading humanities and exploring interesting anime.


This site hosts some of my notes about work and daily life. I write and publish them in order to force myself to organize the mind and to put them into understandable words. Nevertheless, they are mostly for my use and are largely rough. It would be a pleasure if they were a help to someone in their confusion, rather than an addition to it.