1

Y.-Y. Liu, Y.-M. Yan, M. Xu, K. Song and Q. Shi

Exact generator and its high order expansions in time-convolutionless generalized master equation: Applications to spin-boson model and excitation energy transfer

Chin. J. Chem. Phys. 31(4), 575 (2018)

2

Q. Shi, Y. Xu, Y.-Y. Yan and M. Xu

Efficient propagation of the hierarchical equations of motion using the matrix product state method

J. Chem. Phys. 148(17), 174102 (2018)

3

M. Xu, Y.-M. Yan, Y.-Y. Liu and Q. Shi

Convergence of high order memory kernels in the Nakajima-Zwanzig generalized master equation and rate constants: Case study of the spin-boson model

J. Chem. Phys. 148(16), 164101 (2018)

4

X. Leng, Y.-M. Yan, R.-D. Zhu, K. Song, Y.-X. Weng and Q. Shi

Simulation of the two-dimensional electronic spectroscopy and energy transfer dynamics of light-harvesting complex ii at ambient temperature

J. Phys. Chem. B 122(17), 4642-4652 (2018)

5

Y. Xu, K. Song and Q. Shi

Mixed quantum-classical simulation of the hydride transfer reaction catalyzed by dihydrofolate reductase based on a mapped system-harmonic bath model

J. Chem. Phys. 148(10), 102322 (2018)

6

Y.-M. Yan, L.-Z. Song and Q. Shi

Understanding the free energy barrier and multiple timescale dynamics of charge separation in organic photovoltaic cells

J. Chem. Phys. 148(8), 084109 (2018)

7

R.-H. Zheng, W.-M. Wei, M. Xu and Q. Shi

Sum-frequency vibrational spectroscopy of limonene chiral liquids due to the nonadiabatic effect

Phys. Chem. Chem. Phys. 20(10), 7053-7058 (2018)