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Zengkui Liu

new york university

H指数:8

被引数:150

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Molecular Origin of Correlated Bath Effects in Photoinduced Charge Transfer Dynamics in Polar Solvents

极性溶剂中光致电荷转移动力学中相关浴效应的分子起源

The Journal of Physical Chemistry Letters

IF0

2026-03-160

OA

Consistent and Generalizable Effective Model Hamiltonian Framework for Studying Nonadiabatic Dynamics in the Condensed Phase

一致且可推广的有效模型哈密顿框架，用于研究凝聚相中的非绝热动力学

Journal of Chemical Theory and Computation

IF5.5

2025-12-013

PRE

Direct All-Atom Nonadiabatic Semiclassical Simulations for Electronic Absorption Spectroscopy of Organic Photovoltaic Non-Fullerene Acceptor in Solution

直接全原子非绝热半经典模拟用于有机光伏非富勒烯受体溶液的电子吸收光谱研究

JOURNAL OF PHYSICAL CHEMISTRY LETTERS

IF4.6

2025-04-250

OA

Reduced density matrix dynamics in multistate harmonic models via time-convolution and time-convolutionless quantum master equations with quantum-mechanical and semiclassical kernels

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2024-11-110

PRE

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

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2024-08-090

PRE

Benchmarking various nonadiabatic semiclassical mapping dynamics methods with tensor-train thermo-field dynamics

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2024-07-094

PRE

Semiclassical approaches to perturbative time-convolution and time-convolutionless quantum master equations for electronic transitions in multistate systems

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2024-05-023

OA

All-Atom Photoinduced Charge Transfer Dynamics in Condensed Phase via Multistate Nonlinear-Response Instantaneous Marcus Theory

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-04-244

OAAI

Generalized nonequilibrium Fermi's golden rule and its semiclassical approximations for electronic transitions between multiple states

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2024-01-197

PRE

Multistate Reaction Coordinate Model for Charge and Energy Transfer Dynamics in the Condensed Phase

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2023-10-107

OAAI

Imaginary-time open-chain path-integral approach for two-state time correlation functions and applications in charge transfer

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2022-09-213

OA

Three-state harmonic models for photoinduced charge transfer

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2021-05-0417

OAAI

Fabrication of Conjugated Amphiphilic Triblock Copolymer for Drug Delivery and Fluorescence Cell Imaging

ACS BIOMATERIALS SCIENCE & ENGINEERING

IF5.5

2018-01-2331

PREAI

Coarse-Grained Nonadiabatic Dynamics in Disordered Condensed Phases

粗粒化非绝热动力学在无序凝聚相中

Journal of Chemical Theory and Computation

IF5.5

0

PRE