Content: The seminar will concern the discussion of state-of-art techniques in molecular simulation which allow for a simulation of several space (especially) and time scale within one computational approach. In addition novel emerging field as quantum molecular simulations on quantum computers is also treated.

The discussion will concerns both, specific computational coding and conceptual developments

Literatur

Related Basic Literature:

1) M.Praprotnik, L.Delle Site and K.Kremer, Ann.Rev.Phys.Chem.59, 545-571 (2008)

(2) L.Delle Site and M.Praprotnik, Physics Reports, 693, 1-56 (2017)

(3)L.Delle Site, M.Praprotnik, J.Bell, R.Klein, Adv.Th.Sim. 3, 1900232 (2020)

Zusätzliche Informationen

Audience: At least 6th semester with a background in statistical and quantum mechanics, Master students and PhD students (even postdocs) are welcome.