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.
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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.
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The reading and the discussion will be complemented by paper about the latest developments and applications of the methods.
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Literature
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Related Basic Literature:
(1) David M.Ceperley, Reviews of Modern Physics 67 279 (1995)
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(2) Miguel A. Morales, Raymond Clay, Carlo Pierleoni, and David M. Ceperley, Entropy 2014, 16(1), 287-321
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(3) P. Hohenberg and W. Kohn, Phys. Rev. 136 (1964) B864-B871
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(4) K.Sugisaki et al. Phys.Chem.Chem.Phys. (2019) 21, 15356