Many‐body open quantum systems (OQSs) have a profound impact on various
subdisciplines of physics, chemistry, and biology. Thus, the development of a computer …

Accurate characterization of correlated electronic states, as well as their evolution under
external fields or in dissipative environment, is essentially important for understanding the …

We introduce the well-tempered ensemble (WTE) which is the biased ensemble sampled by
well-tempered metadynamics when the energy is used as collective variable. WTE can be …

We propose an efficient method to propagate the hierarchical quantum master equations
based on a reformulation of the original formalism and the incorporation of a filtering …

This work establishes a strongly correlated system-and-bath dynamics theory, the many-
dissipaton density operators formalism. It puts forward a quasi-particle picture for …

In this paper, we present a non-equilibrium quantum theory for transient electron dynamics
in nanodevices based on the Feynman–Vernon influence functional. Applying the exact …

The absorption line shapes of model molecular aggregates are investigated using the
recently developed Liouville space hierarchical equations of motion HEOM method. The …

An accurate and efficient numerical approach is developed for the transient electronic
dynamics of open quantum systems at low temperatures. The calculations are based on a …

This paper presents a comprehensive account of the dissipaton-equation-of-motion (DEOM)
theory for open quantum systems. This newly developed theory treats not only the quantum …

Based on our earlier works [X. Zheng et al, Phys. Rev. B 75, 195127 (2007); JS Jin et al, J.
Chem. Phys. 128, 234703 (2008)], we propose a rigorous and numerically convenient …