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

Hydrogen atom scattering on metal surfaces is investigated based on a simplified Newns–
Anderson model. Both the nuclear and electronic degrees of freedom are treated quantum …

Recent technological advancement in scanning tunneling microscopes has enabled the
measurement of spin-field and spin–spin interactions in single atomic or molecular junctions …

An approach to calculating current-induced forces in charge transport through nanosystems
is introduced. Starting from the fully quantum mechanical hierarchical equations of motion …

The fermionic hierarchical equations of motion (HEOM) approach has found wide
application in the exploration of open quantum systems, and extensive efforts have been …

Mixed quantum-classical (MQC) methods for simulating the dynamics of molecules at metal
surfaces have the potential to accurately and efficiently provide mechanistic insight into …

The Kondo effect is one of the most studied examples of strongly correlated quantum many-
body physics. Another type of strongly correlated physics that has only recently been …

The stability of molecular junctions under transport is of the utmost importance for the field of
molecular electronics. This question is often addressed within the paradigm of current …

We report quantum chemical studies on possible molecular devices working based on
electric field-induced intramolecular charge transfer (EFIMCT). In the case of donor …

The temperature distributions and thermal resistances of the GaN HEMTs fabricated on
different substrates (sapphire, Si, SiC and diamond) with Mo/Au interlayers were calculated …