Interactive DEMO – Perform DFT based embedding in the cloud
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My name is Manas Sharma, and I’m a Ph.D. student in the Computational Materials Science group of Prof. Dr. Marek Sierka.
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References
- T. Wesolowski, A. Warshel, J. Phys. Chem. 97, 8050 (1993).
- C. Müller, M. Sharma, M. Sierka, J. Comput. Chem. 41, 2573 (2020)
- 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)
- F. Furche, R. Ahlrichs, C. Hattig, W. Klopper, M. Sierka, F. Weigend, WIREs Comput.Mol. Sci. 4, 91 (2014).
- R. Łazarski, A.M. Burow, M. Sierka, J. Chem. Theory Comput. 11, 3029 (2015).
- D. Chulhai, J. Goodpaster, J. Chem. Theory Comput. 14, 1928–1942 (2018).
- A. Krishtal, D. Ceresoli, M. Pavanello, J. Chem. Phys. 142, 154116 (2015).
Poster
Video Presentation
Ph.D. researcher at Friedrich-Schiller University Jena, Germany. I’m a physicist specializing in computational material science. I write efficient codes for simulating light-matter interactions at atomic scales. I like to develop Physics, DFT, and Machine Learning related apps and software from time to time. Can code in most of the popular languages. I like to share my knowledge in Physics and applications using this Blog and a YouTube channel.
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