activity
20082020
most citedTime-dependent Density Matrix Renormalization Group Quantum Dynamics for Realistic Chemical Systems

89 citations · 373 across the 25 of their papers we have counts for

collaborators
Showing cond-mat.mes-hallShow all

6 papers · 1 filter

cond-mat.mes-hall2019

Comprehending robust quantum effects in organic semiconductors: Charge-transfer excitons, aggregate phonons and fractons

Yao Yao

In organic semiconductors working under ambient circumstance, there are remarkable quantum effects lack of comprehensive understanding, and an exotic composite particle named charg…

cond-mat.mes-hall2017★ 23 cited

Beating maps of singlet fission: Full-quantum simulation of coherent two-dimensional electronic spectroscopy in organic aggregates

Ke-Wei Sun, Yao Yao

The coherent two-dimensional (2D) electronic spectra with respect to the singlet fission (SF) process in organic molecular aggregates are simulated by the Davydov ansatz combined w…

cond-mat.mes-hall2015★ 33 cited

Coherent dynamics of singlet fission controlled by nonlocal electron-phonon coupling

Yao Yao

Based on the Frenkel-charge transfer (CT) mixing model of singlet fission (SF), we incorporate both the local and nonlocal phonon baths in the Hamiltonian and adopt the algorithm o…

cond-mat.mes-hall2014★ 17 cited

A spin-boson theory for charge photogeneration in organic molecules: Role of quantum coherence

Yao Yao

The charge photogeneration process in organic molecules is investigated by a quantum heat engine model, in which two molecules are modeled by a two-spin system sandwiched between t…

cond-mat.mes-hall2012

Nonequilibrium electronic transport through a polymer chain: Role of solitons

Jia Wang, Yue Yang, Yao Yao +1

Nonequilibrium electronic transport through a polymer chain is investigated by the scattering state operator method. The polymer chain is described by an electron-lattice coupling…

cond-mat.mes-hall2012★ 6 cited

Modeling the underlying mechanisms for organic memory devices: Tunneling, electron emission and oxygen adsorbing

Yao Yao, Yintao You, Wei Si +1

We present a combined experimental and theoretical study to get insight into both memory and negative differential resistance (NDR) effect in organic memory devices. The theoretica…