ICQNN 2022 Poster – Density Functional Theory Based Embedding for Molecular and Periodic Systems

Interactive DEMO – Perform DFT based embedding in the cloud

I hope you’re enjoying my poster. If you have any questions regarding my work then you can ping me via any of the links given below

Connect with me to keep up with updates on my work

My name is Manas Sharma, and I’m a Ph.D. student in the Computational Materials Science group of Prof. Dr. Marek Sierka.



  1. T. Wesolowski,  A. Warshel, J. Phys. Chem. 97, 8050 (1993).
  2. C. Müller, M. Sharma, M. Sierka, J. Comput. Chem. 41, 2573 (2020)
  3. TURBOMOLE, a development of the University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989-2007, TURBOMOLE GmbH, since 2007; available from http://www.turbomole.com. (development version)
  4. F. Furche, R. Ahlrichs, C. Hattig, W. Klopper, M. Sierka, F. Weigend, WIREs Comput.Mol. Sci. 4, 91 (2014).
  5. R. Łazarski, A.M. Burow, M. Sierka, J. Chem. Theory Comput. 11, 3029 (2015).
  6. D. Chulhai, J. Goodpaster, J. Chem. Theory Comput. 14, 1928–1942 (2018).
  7. A. Krishtal, D. Ceresoli, M. Pavanello, J. Chem. Phys. 142, 154116 (2015).


Video Presentation



[wpedon id="7041" align="center"]

Leave a Reply

Your email address will not be published. Required fields are marked *

This site uses Akismet to reduce spam. Learn how your comment data is processed.