CV

Education

Candidate for Ph.D. in Theoretical Chemistry, TU Dresden, Jun. 2021 - Present
M.Sc. in Computational Materials Science, Beihang University, Sep. 2018 - Jan. 2021
B.Sc. in Materials Physics, Beihang University, Sep. 2014 - Jul. 2018

Experience

Doctoral Researcher (Jun. 2021 – Present)
- TU Dresden, Dresden, Germany
- Supervisor: Prof. Thomas Heine
Software Developer (Apr. 2024 – Aug. 2024)
- Software for Chemistry & Materials B.V. (SCM), Amsterdam, the Netherlands
Visiting PhD Student (Oct. 2020 – Dec. 2022)
- National Laboratory for Intense Magnetic Fields (LNCMI), French National Centre for Scientific Research (CNRS), Toulouse, France
- Advisor: Prof. Paulina Plochocka
Research Assistant (Sep. 2017 – Jan. 2021)
- Beihang University (BUAA), Beijing, China
- Supervisor: Assoc. Prof. Naihua Miao
Research Intern (Jul. 2015 – Sep. 2016)
- Institute of Electrical Engineering (IEE)，Chinese Academy of Sciences (CAS), Beijing, China
- Advisor: Assoc. Prof. Hongyan Xu

Technical Skills

Programming Languages:
- Working knowledge of Fortran and C++/C
- Regular user of Python
- Some experience with Julia and Java
Scientific Calculation Software:
- AMS, DFTB+, LAMMPS, VASP, Quantum Espresso
Operating Systems:
- Linux, MacOS, Windows

Scholarships & Awards

European Marie Sklodowska-Curie Doctoral Network (2021-2024)
Start-up Funding, The Collaborative Research Centre (CRC) 1415 (2021)
Outstanding Graduate in Beijing (2021)
- top 4 out of 300 graduates
Outstanding Master’s Dissertation Award, Beihang University (2020)
- top 5% in dissertation quality
Recipient of 9 Scholarships (2014-2020)
- top 10% annually in academic performance and research achievements
The Second Prize of Fengru Cup Competition, Beihang University (2016)
- for extracurricular science and technology works
Merit Student Award, Beihang University (2015)
- top 5 out of 151 undergraduate students

Publications

Independent tuning of exciton g-factors and electric dipole moments in twisted MoS2/WS2 heterostructures

Wei Li, Gautam Jha, Thomas Brumme, Thomas Heine. (2025). "Independent tuning of exciton g-factors and electric dipole moments in twisted MoS2/WS2 heterostructures." ChemRxiv. doi:10.26434/chemrxiv-2023-g6v5r-v2.

Edge-state competition in a 2D topological insulator-semiconductor heterostructure

Wei Li, Pier Philipsen, Thomas Brumme, Thomas Heine. (2025). "Edge-state competition in a 2D topological insulator-semiconductor heterostructure." arXiv. arXiv:2508.12841.

Relaxation Effects in Transition Metal Dichalcogenide Bilayer Heterostructures

Wei Li, Thomas Brumme, Thomas Heine. (2024). "Relaxation Effects in Transition Metal Dichalcogenide Bilayer Heterostructures." npj 2D Materials and Applications. 8(1), 43.

Pressure-Mediated Structural Phase Transitions and Ultrawide Indirect–Direct Bandgaps in Novel Rare-Earth Oxyhalides

Wei Li, Naihua Miao, Jian Zhou, Zhimei Sun. (2021). "Pressure-Mediated Structural Phase Transitions and Ultrawide Indirect–Direct Bandgaps in Novel Rare-Earth Oxyhalides." Journal of Materials Chemistry C. 9(2), 547-554.

Stabilizing a Lithium Metal Battery by an In Situ Li₂S-modified Interfacial Layer via Amorphous-Sulfide Composite Solid Electrolyte

Chen Lai, Chengyong Shu, Wei Li, Liu Wang, Xiaowei Wang, Tianran Zhang, Xuesong Yin, Iqbal Ahmad, Mingtao Li, Xiaolu Tian, Pu Yang, Wei Tang, Naihua Miao, Guangyuan Wesley Zheng. (2020). "Stabilizing a Lithium Metal Battery by an In Situ Li₂S-modified Interfacial Layer via Amorphous-Sulfide Composite Solid Electrolyte." Nano Letters. 20(11), 8273-8281.

Tunable Phase Transitions and High Photovoltaic Performance of Two-Dimensional In₂Ge₂Te₆ Semiconductors

Naihua Miao, Wei Li, Linggang Zhu, Bin Xu, Jian Zhou, Stephen R Elliott, Zhimei Sun. (2020). "Tunable Phase Transitions and High Photovoltaic Performance of Two-Dimensional In₂Ge₂Te₆ Semiconductors." Nanoscale Horizons. 5(12), 1566-1573.

Teaching

Physical Chemistry Computer Lab

Quantum Chemistry

Extracurricular Activities

Minister of Public Relations, Students’ Union
- Organized events and secured sponsorships.
Orchestra Member (2015-2021)
- 8 years with Pipa and 2 years with Ruan (traditional Chinese instruments).
Rock Climbing & 10 years of Chinese Folk Dance

Wei Li

CV