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The Journal of Physical Chemistry Letters|June 17, 2024
Real-Time Simulation of Ultrafast Electronic Dynamics of Nanoscale Systems Involving an Organic Molecule and a Nanoparticle DimerXunkun Huang, WanZhen LiangThe Journal of Chemical Physics|January 9, 2025
Analytical derivative approaches for vibro-polaritonic structures and properties. I. Formalism and implementationXunkun Huang, WanZhen LiangThe Journal of Chemical Physics|February 1, 2023
Analytical derivative couplings within the framework of time-dependent density functional theory coupled with conductor-like polarizable continuum model: Formalism, implementation, and applicationsXunkun Huang, Zheng Pei, WanZhen LiangThe Journal of Chemical Physics|June 3, 2024
Time-dependent Kohn-Sham electron dynamics coupled with nonequilibrium plasmonic response via atomistic electromagnetic modelXunkun Huang, Wenshu Zhang, WanZhen LiangPhysical Chemistry Chemical Physics : PCCP|November 10, 2021
Understanding the mechanism of plasmon-driven water splitting: hot electron injection and a near field enhancement effectJiaquan Huang, Xinyi Zhao, Xunkun Huang, et al.Physical Chemistry Chemical Physics : PCCP|February 1, 2024
Identification of the interchromophore interaction in the electronic absorption and circular dichroism spectra of bis-phenanthrenesYuchuan Xu, Xunkun Huang, Yu-Chen Wang, et al.Journal of Chemical Theory and Computation|June 10, 2023
Electronic Couplings for Singlet Fission Processes Based on the Fragment Particle-Hole DensitiesYu-Chen Wang, Shishi Feng, Yi Kong, et al.The Journal of Chemical Physics|October 10, 2015
Analytic energy gradient of excited electronic state within TDDFT/MMpol framework: Benchmark tests and parallel implementationQiao Zeng, WanZhen LiangJournal of Chemical Theory and Computation|November 26, 2024
Integrating Self-Initialized Local Thermalizing Lindblad Operators for Variational Quantum Algorithm with Quantum Jump: Implementation and PerformanceZhihao Lan, WanZhen LiangThe Journal of Physical Chemistry Letters|November 23, 2020
How the Structures and Properties of Pristine and Anion Vacancy Defective Organic-Inorganic Hybrid Double Perovskites MA2AgIn(BrI1-)6 Vary with Br Content xQi Liu, WanZhen LiangPageof 9