Simulating chemistry on bosonic quantum devices
Bosonic quantum devices offer a novel approach to realize quantum computations, where
the quantum two-level system (qubit) is replaced with the quantum (an) harmonic oscillator …
the quantum two-level system (qubit) is replaced with the quantum (an) harmonic oscillator …
[HTML][HTML] Numerically “exact” approach to open quantum dynamics: The hierarchical equations of motion (HEOM)
Y Tanimura - The Journal of chemical physics, 2020 - pubs.aip.org
An open quantum system refers to a system that is further coupled to a bath system
consisting of surrounding radiation fields, atoms, molecules, or proteins. The bath system is …
consisting of surrounding radiation fields, atoms, molecules, or proteins. The bath system is …
HEOM‐QUICK: a program for accurate, efficient, and universal characterization of strongly correlated quantum impurity systems
Accurate characterization of correlated electronic states, as well as their evolution under
external fields or in dissipative environment, is essentially important for understanding the …
external fields or in dissipative environment, is essentially important for understanding the …
Polariton-mediated electron transfer via cavity quantum electrodynamics
We investigate the polariton-mediated electron transfer reaction in a model system with
analytic rate constant theory and direct quantum dynamical simulations. We demonstrate …
analytic rate constant theory and direct quantum dynamical simulations. We demonstrate …
Quantum coherence and its interplay with protein environments in photosynthetic electronic energy transfer
Recent experiments suggest that electronic energy transfer in photosynthetic pigment-
protein complexes involves long-lived quantum coherence among electronic excitations of …
protein complexes involves long-lived quantum coherence among electronic excitations of …
Padé spectrum decompositions of quantum distribution functions and optimal hierarchical equations of motion construction for quantum open systems
J Hu, M Luo, F Jiang, RX Xu, Y Yan - The Journal of chemical physics, 2011 - pubs.aip.org
Padé spectrum decompositions of quantum distribution functions and optimal hierarchical
equations of motion construction for quantum open systems | The Journal of Chemical Physics …
equations of motion construction for quantum open systems | The Journal of Chemical Physics …
Efficient propagation of the hierarchical equations of motion using the Tucker and hierarchical Tucker tensors
We develop new methods to efficiently propagate the hierarchical equations of motion
(HEOM) by using the Tucker and hierarchical Tucker (HT) tensors to represent the reduced …
(HEOM) by using the Tucker and hierarchical Tucker (HT) tensors to represent the reduced …
[HTML][HTML] Detailed balance in mixed quantum–classical map** approaches
The violation of detailed balance poses a serious problem for the majority of current
quasiclassical methods for simulating nonadiabatic dynamics. In order to analyze the …
quasiclassical methods for simulating nonadiabatic dynamics. In order to analyze the …
Energy transfer in structured and unstructured environments: Master equations beyond the Born-Markov approximations
We explore excitonic energy transfer dynamics in a molecular dimer system coupled to both
structured and unstructured oscillator environments. By extending the reaction coordinate …
structured and unstructured oscillator environments. By extending the reaction coordinate …
Recovering Marcus theory rates and beyond without the need for decoherence corrections: The map** approach to surface hop**
It is well-known that fewest-switches surface hop** (FSSH) fails to correctly capture the
quadratic scaling of rate constants with diabatic coupling in the weak-coupling limit, as …
quadratic scaling of rate constants with diabatic coupling in the weak-coupling limit, as …