Ren, Jiajun

Latest

A molecular descriptor for characterizing the strength of through-space conjugation for luminescent property in organic materials
Quantum chemistry density matrix renormalization group in the discrete variable representation
Nonadiabatic field: a conceptually novel approach for nonadiabatic quantum molecular dynamics
Excited state structure and decay rates for aggregates
Optimal tree tensor network operators for tensor network simulations: Applications to open quantum systems
$\pi$-Bridge mediated coupling between inter-and intra-molecular charge transfer in aggregates for highly efficient near-infrared emission
Roles of nonlocal electron-phonon coupling on the electrical conductivity and Seebeck coefficient: A time-dependent DMRG study
Physics-constrained hardware-efficient ansatz on quantum computers that is universal, systematically improvable, and size-consistent
Heterofission mechanism for pure organic room temperature phosphorescence
Time-dependent density matrix renormalization group method for quantum transport with phonon coupling in molecular junction
Unified definition of exciton coherence length for exciton--phonon coupled molecular aggregates
Efficient quantum simulation of electron-phonon systems by variational basis state encoder
Computational method for evaluating the thermoelectric power factor for organic materials modeled by the Holstein model: A time-dependent density matrix renormalization group formalism
Hybrid quantum-classical boson sampling algorithm for molecular vibrationally resolved electronic spectroscopy with Duschinsky rotation and anharmonicity
On the fly swapping algorithm for ordering of degrees of freedom in density matrix renormalization group
Time-dependent density matrix renormalization group coupled with n-mode representation potentials for the excited state radiationless decay rate: Formalism and application to azulene
A general charge transport picture for organic semiconductors with nonlocal electron-phonon couplings
Intermolecular charge-transfer-induced strong optical emission from herringbone H-Aggregates
Simultaneously and selectively imaging a cytoplasm membrane and mitochondria using a dual-colored aggregation-induced emission probe
Applying Marcus theory to describe the carrier transports in organic semiconductors: Limitations and beyond
Finite-temperature TD-DMRG for the carrier mobility of organic semiconductors
Time-dependent density matrix renormalization group algorithms for nearly exact absorption and fluorescence spectra of molecular aggregates at both zero and finite temperature
Role of the dark 2Ag state in donor--acceptor copolymers as a pathway for singlet fission: A DMRG study
Excitonic coupling effect on the nonradiative decay rate in molecular aggregates: Formalism and application
Inner space perturbation theory in matrix product states: Replacing expensive iterative diagonalization
Electrostatic interaction-induced room-temperature phosphorescence in pure organic molecules from QM/MM calculations
Triplet--polaron-interaction-induced upconversion from triplet to singlet: a possible way to obtain highly efficient OLEDs
Nonadiabatic molecular dynamics modeling of the intrachain charge transport in conjugated diketopyrrolo-pyrrole polymers