The seminar will focus on the literature related to the most popular molecular simulation methods for quantum mechanical systems.
In particular we will read and discuss the paper at the foundation of Path Integral Molecular Dynamics, Quantum Monte Carlo techniques and Density Functional Theory. A new development became relevant in the last yeras, i.e. quantum calculations on quantum computers, part of the seminar will treat also such novel aspects.
Moreover the reading and the discussion will be complemented by paper about the latest developments and applications of the methods.
Related Basic Literature:
(1) David M.Ceperley, Reviews of Modern Physics 67 279 (1995)
(2) Miguel A. Morales, Raymond Clay, Carlo Pierleoni, and David M. Ceperley, Entropy 2014, 16(1), 287-321
(3) P. Hohenberg and W. Kohn, Phys. Rev. 136 (1964) B864-B871
At least 6th semester with a background in statistical and quantum mechanics, Master students and PhD students (even postdocs) are welcome.
Virtueller Raum 24
wöchentlich, ab 15.04.2021, 14:00 - 16:00 (13 Termine)