Zengkui Liu

13PUBLICATIONS
11CO-AUTHORS
Condensed matter modelling and density functional theoryTransport properties and non-equilibrium processesIntegrable systems (classical and quantum)Nonlinear optics and spectroscopyQuantum computation
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Publications (13)

|Oct 23, 2026
Coarse-Grained Nonadiabatic Dynamics in Disordered Condensed Phases.

|Mar 16, 2026
Molecular Origin of Correlated Bath Effects in Photoinduced Charge Transfer Dynamics in Polar Solvents.

Xiang Sun, Zengkui Liu

|Dec 09, 2025
Consistent and Generalizable Effective Model Hamiltonian Framework for Studying Nonadiabatic Dynamics in the Condensed Phase.

Zengkui Liu, Hao Zeng, Xiang Sun

|Apr 25, 2025
Direct All-Atom Nonadiabatic Semiclassical Simulations for Electronic Absorption Spectroscopy of Organic Photovoltaic Non-Fullerene Acceptor in Solution.

Zengkui Liu, Xiang Sun

|Nov 11, 2024
Reduced density matrix dynamics in multistate harmonic models via time-convolution and time-convolutionless quantum master equations with quantum-mechanical and semiclassical kernels.

Xiang Sun, Zengkui Liu

|Aug 09, 2024
PyCTRAMER: A Python package for charge transfer rate constant of condensed-phase systems from Marcus theory to Fermi's golden rule.

Zengkui Liu, Dominikus Brian, Xiang Sun

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Frequent Collaborators

13 joint publications

Xiang Sun

2 joint publications

Zailing Song

2 joint publications

Hao Zeng

1 joint publications

Mark E Tuckerman