I joined the theory group at the Max Planck Institute for Polymer Research as a postdoc in May 2017. My current research focusses on the exciton transport and upconversion in organic materials.

I obtained my PhD in computational chemistry with special distinction from Jacobs University under the supervision of Prof. Thomas Heine. My PhD thesis focused on understanding electronic structure of atomic clusters and reaction mechanism for organic reaction by mean of density functional theory and ab initio molecular dynamics. After that, I carried out my first postdoc position with Prof. Stefan Grimme at University of Bonn from May 2015 to April 2017, mainly working on computational chemistry of so-called “frustrated Lewis pairs” in solution and in solid state.

Published in the group


[pdf] Polymerizing phostones: A fast way to in-chain poly(phosphonate)s with adjustable hydrophilicity
K. Bauer, Lei Liu, D. Andrienko, M. Wagner, E. Macdonald, M. Shaver, F. Wurm
Macromolecules, 51, 1272-1279, 2018, [doi] [abstract]

[pdf] Alcohol- and water-tolerant living anionic polymerization of aziridines
T. Gleede, E. Rieger, L. Liu, C. Bakkali-Hassani, M. Wagner, S. Carlotti, D. Taton, D. Andrienko, F. Wurm
Macromolecules, 51, 5713-5719, 2018, [doi] [abstract]

[pdf] Mechanistic study on the hydrolytic degradation of polyphosphates
K. Bauer, L. Liu, M. Wagner, D. Andrienko, F. Wurm
European Polymer Journal, 108, 286-294, 2018, [doi] [abstract]