Wenlan Liu

I joined the theory group at the Max Planck Institute for Polymer Research as a postdoctoral fellow in February 2019.

In April 2011, I received my PhD degree in the group of Prof. Bernd Engels at the Würzburg University, on the topic of "Exciton coupling in valence and core excited aggregates of pi-conjugated molecules." After two short post-doc periods in Heidelberg and Tübingen Universities, I joined Prof. Andreas Köhn's group at the Mainz University back in May 2012. At the first two years, I developed the "Explicitly-correlated multi-reference internal contracted coupled cluster theory" code in the “a string-based general contraction code (GECCO)” program package. Then I switched my research focus on the topic of electronically excited state analysis method, and proposed an novel diabatization method. The method is also implemented now in the Turbomole program package. In between, my working place also switched from Mainz to Heidelberg, InnovationLab GmbH. In the meantime, I was also working on the topic of “Quantum chemical studies of interactions and transfer processes at interfaces”.

I am one of the board members of the Chinese-German Chemical Association (www.cgca.de), which promotes the academic exchange among its members, as well as cooperation between Chinese and German academic and industrial institutions in chemistry and related fields.

Published in the group


[pdf] Long-range exciton diffusion in molecular non-fullerene acceptors
Y. Firdaus, V. M. Le Corre, S. Karuthedath, W. Liu, A. Markina, W. Huang, S. Chattopadhyay, M. M. Nahid, M. I. Nugraha, Y. Lin, A. Seitkhan, A. Basu, W. Zhang, I. McCulloch, H. Ade, J. Labram, F. Laquai, D. Andrienko, L. J. A. Koster, T. D. Anthopoulos
Nature Communications, 11, 5220, 2020, [doi] [abstract]

[pdf] Molecular origin of balanced bipolar transport in neat layers of the emitter CzDBA
W. Liu, N. B. Kotadiya, P. W. M. Blom, G.-J. A. H. Wetzelaer, D. Andrienko
Adv. Mater. Technol., 2000120, 2020, [doi] [abstract]

Intrinsic efficiency limits in low-bandgap non-fullerene acceptor organic solar cells
S. Karuthedath, J. Gorenflot, Y. Firdaus N. Chaturvedi, C. S. P. De Castro, G. T. Harrison, J. I. Khan, A. Markina, A. H. Balawi, T. A. D. Pena, W. Liu, R.-Z. Liang, A. Sharma, S. H. K. Paleti, W. Zhang, Y. Lin, E. Alarousu, D. H. Anjum, P. M. Beaujuge, S. De Wolf, I. McCulloch, T. D. Anthopoulos, D. Baran, D. Andrienko, F. Laquai
Nature Materials, 2020, [doi] [abstract]