1

L.-Z. Song and Q. Shi

Calculation of correlated initial state in the hierarchical equations of motion method using an imaginary time path integral approach

J. Chem. Phys. 143(19), 194106 (2015)

2

Y.-Y. Jing, K. Song, S.-M. Bai and Q.Shi

Linear and nonlinear spectra in photosynthetic light harvesting complexes: Benchmark tests of modified Redfield method

Chin. J. Chem. Phys. 28(4), 431 (2015)

3

K. Song, S.-M. Bai and Q.Shi*

A time domain two-particle approximation to calculate the absorption and circular dichroism line shapes of molecular aggregates

J. Chem. Phys. 143, 064109 (2015)

4

Y. Liu, H. Liu, K. Song, Y. Xu, and Q. Shi*

Theoretical Study of Proton Coupled Electron Transfer Reactions: The Effect of Hydrogen Bond Bending Motion

J. Phys. Chem. B 119,  8104-8114 (2015)

5

L.-Z. Song and Q. Shi*

A new approach to calculate charge carrier transport mobility in organic molecular crystals from imaginary time path integral simulations

J. Chem. Phys. 142,  174103 (2015)

6

S.-M. Bai, K. Song, and Q. Shi*

Effects of Different Quantum Coherence on the Pump-Probe Polarization Anisotropy of Photosynthetic Light-Harvesting Complexes: A Computational Study

J. Phys. Chem. Lett. 6, 1954-1960 (2015)

7

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

A theoretical study of sum-frequency generation for chiral solutions near electronic resonance

Phys. Chem. Chem. Phys. 17, 20296-20300 (2015)

8

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

Theoretical investigation of quadrupole contributions to surface sum-frequency vibrational spectroscopy

Phys. Chem. Chem. Phys. 17, 9068-9073 (2015)