WATOC-2020 (2022) Poster – DENSITY FUNCTIONAL EMBEDDING SCHEME FOR MOLECULES AND PERIODIC SYSTEMS

Hi!

It’s me, Manas Sharma. Unfortunately, I couldn’t be there in person as I didn’t get the VISA on time 🙁

Anyway, 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

I’m a Ph.D. student in the Computational Materials Science group of Prof. Dr. Marek Sierka.

LinkedIn: www.linkedin.com/in/manassharma07

Instagram (Phys Whiz): https://www.instagram.com/___physwhiz___

YouTubehttps://www.youtube.com/c/Bragitoff_physics

GitHub: https://github.com/manassharma07

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Email: manas.sharma[at]uni-jena.de

 

References

  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).

Poster

Poster_WATOC_2022_ManasSharma

Video Presentation

 

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