Tobias Hainer

Research

In his Master’s thesis Tobias studied phase transitions in mixed halide perovskites.

Publications

• Revealing the Low Temperature Phase of FAPbI₃ using A Machine-Learned Potential Permalink
  S. Dutta, E. Fransson, T. Hainer, B. M. Gallant, D. J. Kubicki, P. Erhart, and J. Wiktor
  arXiv:2503.23974 (2025)
• GPUMD 4.0: A high-performance molecular dynamics package for versatile materials simulations with machine-learned potentials Permalink
  K. Xu, H. Bu, S. Pan, E. Lindgren, Y. Wu, Y. Wang, J. Liu, K. Song, B. Xu, Y. Li, T. Hainer, L. Svensson, J. Wiktor, R. Zhao, H. Huang, C. Qian, S. Zhang, Z. Zeng, B. Zhang, B. Tang, Y. Xiao, Z. Yan, J. Shi, Z. Liang, J. Wang, T. Liang, S. Cao, Y. Wang, P. Ying, N. Xu, C. Chen, Y. Zhang, Z. Chen, X. Wu, W. Jiang, E. Berger, Y. Li, S. Chen, A. J. Gabourie, H. Dong, S. Xiong, N. Wei, Y. Chen, J. Xu, F. Ding, Z. Sun, T. Ala-Nissila, A. Harju, J. Zheng, P. Guan, P. Erhart, J. Sun, W. Ouyang, Y. Su, and Z. Fan
  Materials Genome Engineering Advances ASAP (2025)
• A Morphotropic Phase Boundary in MA_1-xFA_xPbI₃: Linking Structure, Dynamics, and Electronic Properties Permalink
  T. Hainer, E. Fransson, S. Dutta, J. Wiktor, and P. Erhart
  arXiv:2503.22372 (2025)

Theses

• Dynamic Phase Transitions in Mixed Halide Perovskites Permalink
  T. Hainer, Master′s Thesis (2024)