Hierarchical Equations of Motion for Quantum Chemical Dynamics: Recent Methodology Developments and Applications
Conspectus Quantum effects are critical to understanding many chemical dynamical
processes in condensed phases, where interactions between molecules and their …
processes in condensed phases, where interactions between molecules and their …
HEOM‐QUICK2: A general‐purpose simulator for fermionic many‐body open quantum systems—An update
Many‐body open quantum systems (OQSs) have a profound impact on various
subdisciplines of physics, chemistry, and biology. Thus, the development of a computer …
subdisciplines of physics, chemistry, and biology. Thus, the development of a computer …
Taming quantum noise for efficient low temperature simulations of open quantum systems
The hierarchical equations of motion (HEOM), derived from the exact Feynman-Vernon path
integral, is one of the most powerful numerical methods to simulate the dynamics of open …
integral, is one of the most powerful numerical methods to simulate the dynamics of open …
Electron transfer bridge inducing polarization of nitrogen molecules for enhanced photocatalytic nitrogen fixation
Ammonia (NH3) plays a crucial role in the production of fertilizers, medicines, fibers, etc.,
which are closely relevant to the development of human society. However, the inert and …
which are closely relevant to the development of human society. However, the inert and …
Resonance theory and quantum dynamics simulations of vibrational polariton chemistry
We present numerically exact quantum dynamics simulations using the hierarchical
equation of motion approach to investigate the resonance enhancement of chemical …
equation of motion approach to investigate the resonance enhancement of chemical …
Quantum Monte Carlo method in the steady state
We present a numerically exact steady-state inchworm Monte Carlo method for
nonequilibrium quantum impurity models. Rather than propagating an initial state to long …
nonequilibrium quantum impurity models. Rather than propagating an initial state to long …
Efficient low-temperature simulations for fermionic reservoirs with the hierarchical equations of motion method: Application to the Anderson impurity model
The hierarchical equations of motion (HEOM) approach is an accurate method to simulate
open system quantum dynamics, which allows for systematic convergence to numerically …
open system quantum dynamics, which allows for systematic convergence to numerically …
Toward quantum simulation of non-Markovian open quantum dynamics: A universal and compact theory
Non-Markovianity, the intricate dependence of an open quantum system on its temporal
evolution history, holds tremendous implications across various scientific disciplines …
evolution history, holds tremendous implications across various scientific disciplines …
Quantum mechanics of open systems: Dissipaton theories
This Perspective presents a comprehensive account of the dissipaton theories developed in
our group since 2014, including the physical picture of dissipatons and the phase–space …
our group since 2014, including the physical picture of dissipatons and the phase–space …
Quasi-Lindblad pseudomode theory for open quantum systems
We introduce a new framework to study the dynamics of open quantum systems with linearly
coupled Gaussian baths. Our approach replaces the continuous bath with an auxiliary …
coupled Gaussian baths. Our approach replaces the continuous bath with an auxiliary …