Guest researcher

Lei Song obtained her PhD degree in Theoretical Chemistry at Radboud University Nijmegen (the Netherlands) in 2016. Before she joined our group she worked as a postdoc researcher at University of Stuttgart (Germany) from 2016 to 2018. Her past research focused on the development of potential surfaces for small gas molecules and quantum scattering calculations based on the developed potentials and QM/MM simulations on surface reactions.

Lei Song was a visiting researcher at our group from October 2018 to July 2020, when she worked on the development of interatomic potential for metal halide perovskites using DFT and machine learning methods.

Selected publications:

  1. N. Li#, L. Song#, Y. Jia, Y. Dong, F. Xie, L. Wang, S. Tao and N. Zhao, Self-blocked ion migration in binary-alkali-cation perovskite light-emitting diodes, Advanced Materials, 1907786 (2020). (Open Access)
  2. L. Song and J. Kästner, Tunneling rate constants for H2CO+H on amorphous solid water surfaces, Astrophys. J. 850, 118 (2017).
  3. L. Song and J. Kästner, Formation of the prebiotic molecule NH2CHO on astronomical amorphous solid water surfaces: accurate tunneling rate calculations, Phys. Chem. Chem. Phys. 18, 29278 (2016).
  4. L. Song, G. C. Groenenboom, A. van der Avoird, C. K. Bishwakarma, G. Sarma, D. H. Parker, and A. G. Suits, Inelastic scattering of CO with He: polarization dependent differential state-to-state cross sections, J. Phys. Chem. A. 119, 12526 (2015).
  5. L. Song, N. Balakrishnan, A. van der Avoird, T. Karman, and G. C. Groenenboom, Quantum scattering calculations for ro-vibration de-excitation of CO by hydrogen atoms, J. Chem. Phys. 142, 204303 (2015).
  6. L. Song, A. van der Avoird, G. C. Groenenboom, Three-dimensional ab initio potential energy surface for H-CO(X2A’), J. Phys. Chem. A 117, 7571 (2013).