The seminar will focus on the literature related to the most popular molecular simulation methods for quantum mechanical systems and on the emerging subject of quantum computers.
In particular we will read and discuss papers at the foundation of Path Integral Molecular Dynamics, Quantum Monte Carlo techniques, Density Functional Theory and quantum chemistry on quantum computers.
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
(4) K.Sugisaki et al. Phys.Chem.Chem.Phys. (2019) 21, 15356