Contact
+49 711 685 65546
+49 711 685 65507
Email
Pfaffenwaldring 57
70569 Stuttgart
Germany
Room: 7.154
Subject
Development and applications of frequency-dependent polarizable force fields, Time-Dependent Density Functional Theory (TDDFT), Computational Material Science, Software Engineering, and Machine Learning.
- Cheng, Y., & Verstraelen, T. (2023). The significance of fluctuating charges for molecular polarizability and dispersion coefficients. The Journal of Chemical Physics. https://doi.org/10.1063/5.0163842
- Cheng, Y., & Verstraelen, T. (2022). A new framework for frequency-dependent polarizable force fields. The Journal of Chemical Physics, 157(12), Article 12. https://doi.org/10.1063/5.0115151
- Cheng, Y., Zhu, L., Wang, G., Zhou, J., Elliott, S. R., & Sun, Z. (2020). Vacancy formation energy and its connection with bonding environment in solid: A high-throughput calculation and machine learning study. Computational Materials Science, 183, 109803. https://doi.org/10.1016/j.commatsci.2020.109803
- Cheng, Y., Zhu, L., Zhou, J., & Sun, Z. (2020). pyGACE: Combining the genetic algorithm and cluster expansion methods to predict the ground-state structure of systems containing point defects. Computational Materials Science, 174, 109482. https://doi.org/10.1016/j.commatsci.2019.109482
- Cheng, Y., Zhu, L., Ying, Y., Zhou, J., & Sun, Z. (2018). Electronic structure of strongly reduced (1‾11) surface of monoclinic HfO2. Applied Surface Science, 447, 618--626. https://doi.org/10.1016/j.apsusc.2018.03.234
- 08/23 - present: Research assistant in Mathematics, University of Stuttgart
- 04/19 - 07/23: PhD in Physics, Ghent University, Ghent, Belgium
- 09/16 - 01/19: Master in Materials Science and Engineering, Beihang University (BUAA), Beijing, China
- 09/12 - 06/16: Bachelor in Materials Science and Engineering, Huazhong University of Science and Technology (HUST), Wuhan, China