activity
20152026
most citedFast, accurate simulation of polaron dynamics and multidimensional spectroscopy by multiple Davydov trial states

78 citations · 327 across the 16 of their papers we have counts for

collaborators

16 papers

cond-mat.mes-hall2026

Quantum Divergence and Topological Edge Diagnostics via Levitov Full Counting Statistics

Maolin Bo, Xiang Chen, Siyu Liu +4

We propose a differential full counting statistics protocol for mesoscopic transport. Additionally, we compare terminal Fano factors and noise cumulants between gate configurations…

cond-mat.mtrl-sci2026

Non-Hermitian Tight-Binding Bands in Graphene: Optical Conductivity, Strain Effects, and Bernal Bilayer Extension

Maolin Bo, Yaorui Tan, Sunxin Fan +4

Within the tight binding framework of graphenes π electron nearest neighbors, the Tan Bo model parametrizes transition energies t(dr) based on bond lengths and angles via the Mobiu…

cond-mat.mes-hall2026

Electrostatic Screening Modulation of Graphene's Electronic Structure and the Helical Wavefunction Dominated Topological Properties

Yaorui Tan, Xiang Chen, Yunhu Zhu +4

This study examines electrostatic screening effects in graphene using tight binding calculations based on the Binding energy and Bond Charge model and a modified version of it. The…

cond-mat.mtrl-sci2022

Electrostatic shielding effect of ground state energy of metallic elements and non-metallic elements

Maolin Bo, Hanze Li, Zhihong Wang +3

The ground state energy is great importance for studying the properties of a material. In this study, we computed both the Hartree-Fock approximation and the random phase approxima…

cond-mat.mtrl-sci2022★ 3 cited

Topological Bonding and Electronic properties of CdTe semiconductor material with microporous structure

Yixin Li, Wei Xiong, Lei Li +4

CdTe is II-VI semiconductor material with excellent characteristics and has demonstrated promising potential for application in the photovoltaic field. The electronic properties of…

cond-mat.mtrl-sci2020

Atomic bonding and binding energy of two-dimensional Bi/Li(110) heterojunctions via BOLS and BB model

Maolin Bo, Liangjing Ge, Jibiao Li +3

Combining the bond-order-length-strength (BOLS) and bonding and binding energy (BB) models with density functional theory (DFT) calculations, we studied the atomic bonding and bind…

physics.comp-ph2019

Bond Relaxation and Electronic Properties of Two-Dimensional Sb/MoSe2 and Sb/MoTe2 Van der Waals Heterostructures

Maolin Bo, Hanze Li, Zhongkai Huang +2

Van der Waals heterostructures have recently garnered interest for application in high-performance photovoltaic materials. Consequently, understanding the basic electronic characte…

cond-mat.stat-mech2019★ 78 cited

Fast, accurate simulation of polaron dynamics and multidimensional spectroscopy by multiple Davydov trial states

Nengji Zhou, Lipeng Chen, Zhongkai Huang +3

By employing the Dirac-Frenkel time-dependent variational principle, we study the dynamical properties of the Holstein molecular crystal model with diagonal and off-diagonal excito…

quant-ph2019★ 13 cited

Dissipative dynamics in a tunable Rabi dimer with periodic harmonic driving

Zhongkai Huang, Fulu Zheng, Yuyu Zhang +2

Recent progress on qubit manipulation allows application of periodic driving signals on qubits. In this study, a harmonic driving field is added to a Rabi dimer to engineer photon…

cond-mat.mtrl-sci2018★ 5 cited

Bond relaxation, electronic and magnetic behavior of 2D metals structures Y on Li(110) surface

Maolin Bo, Li Lei, Chuang Yao +3

We investigated the bond, electronic and magnetic behavior of adsorption Yttrium atoms on Lithium (110) surface using a combination of Bond-order-length-strength(BOLS) correlation…

physics.comp-ph2018

Electronic structure and bond relaxation at Na/Ta(110) interfaces and 1D-chain and 2D-ring Ta metal structures on Na(110)

Maolin Bo, Li Lei, Chuang Yao +3

We investigated the mechanism of Na/Ta(110) and Ta/Na(110) interfaces using a combination of bond band barrier (BBB) and zone selective electron spectroscopy (ZES) correlation. We…

quant-ph2017★ 39 cited

Dynamics of dissipative Landau-Zener transitions

Zhongkai Huang, Yang Zhao

A non-perturbative treatment, the Dirac-Frenkel time-dependent variation is employed to examine dynamics of the Landau-Zener model with both diagonal and off-diagonal qubit-bath co…

physics.chem-ph2017★ 39 cited

Effect of off-diagonal exciton-phonon coupling on intramolecular singlet fission

Zhongkai Huang, Yuta Fujihashi, Yang Zhao

Intramolecular singlet fission (iSF) materials provide remarkable advantages in terms of tunable electronic structures, and quantum chemistry studies have indicated strong electron…

quant-ph2017★ 37 cited

Transient dynamics of a one-dimensional Holstein polaron under the influence of an external electric field

Zhongkai Huang, Lipeng Chen, Nengji Zhou +1

Following the Dirac-Frenkel time-dependent variational principle, transient dynamics of a one-dimensional Holstein polaron with diagonal and off-diagonal exciton-phonon coupling in…

physics.chem-ph2017★ 45 cited

Polaron dynamics with off-diagonal coupling: beyond the Ehrenfest approximation

Zhongkai Huang, Lu Wang, Changqin Wu +3

Treated traditionally by the Ehrenfest approximation, dynamics of a one-dimensional molecular crystal model with off-diagonal exciton-phonon coupling is investigated in this work u…

physics.chem-ph2015★ 68 cited

Polaron dynamics with a multitude of Davydov D trial states

Nengji Zhou, Zhongkai Huang, Jiangfeng Zhu +2

We propose an extension to the Davydov D Ansatz in the dynamics study of the Holstein molecular crystal model with diagonal and off-diagonal exciton-phonon coupling using the D…