2024
1
S.-C. Zhang, Y. Chen and Q. Shi
Simulating the operation of a quantum computer in a dissipative environment.
J. Chem. Phys. 160, 054101 (2024)
2
R.-H. Zheng, W.-M. Wei and S.-C. Zhang
J. Chem. Phys. 160, 107102 (2024)
3
T.-C. Li, Y.-M. Yan and Q. Shi
J. Chem. Phys. 160, 111102 (2024)
3
2023
2022
1
T.-C. Li, Y.-M. Yan and Q. Shi
J. Chem. Phys. 156, 064107 (2022)
2
X.-H. Dan, M. Xu, Y.-M. Yan and Q. Shi
J. Chem. Phys. 156, 134114 (2022)
3
R.-H. Zheng, F.-Q. Dong, W.-M. Wei and W.-Z. Guan
J. Phys. Chem. B 126, 7, 1558–1565 (2022)
4
T. Xing, T.-C. Li, Y.-M. Yan and Q. Shi
Chin. J. Chem. Phys. 35.5, 727 (2022)
5
T. Xing, T.-C. Li, Y.-M. Yan, S.-M. Bai and Q. Shi
J. Chem. Phys. 156, 244102 (2022)
6
M. Xu, Y.-M. Yan, Q. Shi, J. Ankerhold and J. T. Stockburger
Taming Quantum Noise for Efficient Low Temperature Simulations of Open Quantum Systems
Phys. Rev. Lett. 129, 230601 (2022)
7
Sum-Frequency vibrationalspectroscopy of methanol at interfaces due to Fermi resonance
2021
2020
2019
2018
1
Y.-Y. Liu, Y.-M. Yan, M. Xu, K. Song and Q. Shi
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
J. Chem. Phys. 148(16), 164101 (2018)
4
X. Leng, Y.-M. Yan, R.-D. Zhu, K. Song, Y.-X. Weng and Q. Shi
J. Phys. Chem. B 122(17), 4642-4652 (2018)
5
J. Chem. Phys. 148(10), 102322 (2018)
6
Y.-M. Yan, L.-Z. Song and Q. Shi
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
2017
1
W.-W. Zhao, K. Song, Y. Chen, H. Wang, Z. Liu, Q. Shi, J.-B. Huang and Y. Wang
Aggregation of a cationic gemini surfactant with a chelating molecule and effects from calcium ions
Langmuir, 33(44), 12719-12728 (2017)
2
W.-Q. Li, L.-L. Zhu, Q. Shi, J.-J. Ren, Q. Peng and Z.-G. Shuai
Chem. Phys. Lett. 683, 507-514 (2017)
3
J. Chem. Phys. 146(18), 184108 (2017)
4
Phys. Rev. B 95(6), 064308 (2017)
5
M. Xu, L.-Z. Song, K. Song and Q. Shi
Convergence of high order perturbative expansions in open system quantum dynamics
J. Chem. Phys. 146(6), 064102 (2017)
6
X. Leng, S. Yue, Y.-X. Weng, K. Song and Q. Shi
Effects of finite laser pulse width on two-dimensional electronic spectroscopy
2016
1
R. Welsch, K. Song, Q. Shi, S. C. Althorpe and T. F. Miller III
Non-equilibrium dynamics from RPMD and CMD
J. Chem. Phys. 145(20), 204118 (2016)
2
Effect of Pulse Shaping on Observing Coherent Energy Transfer in Single Light-Harvesting Complexes
J. Phys. Chem. B 120(45), 11637-11643 (2016)
3
K. Song, Y. Xu, L.-Z. Song and Q. Shi
Quantum dynamical theories for proton transfer reactions in condensed phase
Sci. China-Chem. 46(10), 1039-1049 (2016)
4
An alternative realization of the exact non-Markovian stochastic Schrödinger equation
J. Chem. Phys. 144(22), 224105 (2016)
5
W.-W. Xie, M. Xu, S.-M. Bai and Q. Shi
Mixed Quantum-Classical Study of Nonadiabatic Curve Crossing in Condensed Phases
J. Phys. Chem. A 120(19), 3225-3232 (2016)
6
R.-H. Zheng, W.-M. Wei, Y.-Y. Sun, K. Song and Q. Shi
Theoretical study of vibrational energy transfer of free OH groups at the water-air interface
2015
1
J. Chem. Phys. 143(19), 194106 (2015)
2
Y.-Y. Jing, K. Song, S.-M. Bai and Q.Shi
Chin. J. Chem. Phys. 28(4), 431 (2015)
3
J. Chem. Phys. 143, 064109 (2015)
4
Y. Liu, H. Liu, K. Song, Y. Xu, and Q. Shi*
J. Phys. Chem. B 119, 8104-8114 (2015)
5
J. Chem. Phys. 142, 174103 (2015)
6
S.-M. Bai, K. Song, and Q. Shi*
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
2014
1
S.-M. Bai, W.-W. Xie, and Q. Shi*
A New Trajectory Branching Approximation To Propagate the Mixed Quantum-Classical Liouville Equation
J. Phys. Chem. A 118, 9262-9271 (2014)
2
R.-H. Zheng, W.-M. Wei, L.-L. Zhu and Q. Shi
Spectrochimica acta. A 133, 707-13 (2014)
3
R.-H. Zheng, W.-M. Wei, H. Liu, Y.-Y. Jing and Q. Shi
Theoretical study of sum-frequency vibrational spectroscopy on limonene surface
J. Chem. Phys. 140, 104702 (2014)
4
W.-W. Xie, Y. Xu, L.-L. Zhu, and Q. Shi*
J. Chem. Phys. 140, 174105 (2014)
5
H. Liu, L. –L. Zhu, S.-M. Bai, and Q. Shi*
J. Chem. Phys. 140, 134106 (2014)
6
2013
2012
1
L.-L. Zhu, H. Liu, W.-W. Xie, and Q. Shi*
Explicit system-bath correlation calculated using the hierarchical equations of motion method
J. Chem. Phys. 137, 194106 (2012)
2
Z.-Z. Xu, Q. Liao, Q. Shi, H.-L. Zhang, J.-N. Yao, and H.-B. Fu*
Low-Threshold Nanolasers Based on Slab-Nanocrystals of H-Aggregated Organic Semiconductors
Adv. Mater. 24, OP216-OP220 (2012)
3
H.-X Li,* R.-H. Zheng, and Q. Shi*
J. Phys. Chem. C 116, 11886–11894 (2012)
4
C.-J. Yao, R.-H. Zheng, Q. Shi, Y.-W. Zhong*, and J.-N. Yao
Chem. Comm. 48, 5680-5682 (2012)
5
Y.-Y Sun, R.-H. Zheng, and Q. Shi*
J. Phys. Chem. B 116, 4543–4551 (2012)
6
C. Zhang, Y.-L Yan, Y.-Y. Jing, Q. Shi, Y.-S. Zhao*, and J.-N. Yao*
Adv. Mater.24, 1703–1708 (2012)
7
X.-Q. Cao, S.-M. Bai, Y.-S. Wu, Q. Liao, Q. Shi, H.-B. Fu*, J.-N. Yao*
Chem. Comm. 48, 6402-6404 (2012)
8
R.-H Zheng, W.-M Wei*, Y.-Y. Sun, Qiang Shi*
Theoretical study on resonance Raman scattering for C60 molecules in benzene solutions
Vib. Spectrosc. 58, 133-138 (2012)
9
2011
1
R.-H. Zheng, W. -M. Wei,* H.-X. Li, and Q. Shi*
Chem. Phys. Lett. 512, 269-272 (2011)
2
W.-M. Wei, R.-H. Zheng,* Y.-Y. Jing, Y.-T. Liu, J.-C. Hu, Y. Ye, and Q. Shi*
Theoretical Study on Raman Spectra of Aqueous Peroxynitric Acid
Chin. J. Chem. Phys. 24, 625-630 (2011)
3
L. Wang, W.-W. Yang, R.-H. Zheng, Q. Shi, Y.-W. Zhong,* and J.-N. Yao*
Inorg. Chem. 50(15), 7074–7079 (2011)
4
L.-L. Zhu, G. -J. Nan, and Q. Shi*
Theoretical study of electron transfer rates in the inverted region
Sci. Chin. B. 41(8), 1421-1428 (2011)
5
X.-N. Wu, X.-L. Ding, S.-M. Bai, B. Xu, S.-G. He*, and Q. Shi*
J. Phys. Chem. C 115(27), 13329-13337 (2011)
6
Q. Shi*, L.-L. Zhu, and L.-P. Chen
J. Chem. Phys. 135, 044505 (2011)
7
L.-J. Wang, D. Beljonne*, L.-P. Chen, and Q. Shi*
J. Chem. Phys. 134, 244116 (2011)
8
L.-P. Chen, R.-H. Zheng, Y. -Y. Jing, and Q. Shi*
J. Chem. Phys. 134, 194508 (2011)
9
G.-J. Nan*, Q. Shi*, Z.-G. Shuai, and Z.-S. Li*
Phys. Chem. Chem. Phys. 13, 9736-9746 (2011)
10
R.-H. Zheng, W.-M. Wei*, Y.-Y. Sun, and Q. Shi*
Theoretical Study of Doubly Resonant IR-UV Hyper-Raman Scattering
J. Phys. Chem. A 115, 2231-2237 (2011)
11
H.-X Li*, R.-H Zheng and Q. Shi
Theoretical study on charge carrier mobilities of tetrathiafulvalene derivatives
Phys. Chem. Chem. Phys. 13, 5642-5650 (2011)
12
L.-T. Kang, H.-B Fu*, X.-Q Cao, Q. Shi, and J.-N. Yao*
J. Am. Chem. Soc. 133 (6), 1895–1901 (2011)
13
R.-H. Zheng, Y.-Y. Jing, L.-P. Chen, and Q. Shi*
Chem. Phys. 379 (1-3), 39-45 (2011)
14
R. -H. Zheng, Y.-Y. Sun, and Q. Shi*
Theoretical study of the Infrared and Raman line shapes of liquid methanol
2010
1
J. Li, G.-X. Zhang*, D.-Q. Zhang*, R.-H. Zheng, Q. Shi, and D.-B. Zhu
2
G.-J. Nan, R. -H. Zheng, Q. Shi*, and Z.-G.Shuai*
Acta Phys. Chim. Sinica 26, 1755 (2010)
3
L.-J. Wang, Q.-K. Li, Z.-G. Shuai*, L.-P. Chen, and Q. Shi
Multiscale study of charge mobility of organic semiconductor with dynamic disorders
Phys. Chem. Chem. Phys. 12, 3309 (2010)
4
D. Wang, L.-P. Chen, R.-H. Zheng, L.-J. Wang, and Q. Shi*
J. Chem. Phys. 132, 081101 (2010)
5
L.-P. Chen, R.-H. Zheng, Q. Shi*, and Y. J. Yan
J. Chem. Phys. 132, 024502 (2010)
6
L.-W. Huang, Q. Liao, Q. Shi, H.-B. Fu*, J.-S. Ma, and J.-N. Yao*
2009
1
R.-X. Xu*, B.-L. Tian, J. Xu, Q. Shi*, and Y. J. Yan*
Hierarchical quantum master equation with semiclassical Drude dissipation
J. Chem. Phys. 131, 214111 (2009)
2
Y.-S. Wu, Y.-L. Li, H.-X. Li, Q. Shi, H.-B. Fu*, and J.-N. Yao*
N-type cascade electron transfer along an oxidative gradient
3
P. L. McRobbie, G. Hanna, Q. Shi and E. Geva*
Signatures of Nonequilibrium Solvation Dynamics on Multidimensional Spectra
Acc. Chem. Res. 42, 1299 (2009)
4
L.-P. Chen, R.-H. Zheng, Q. Shi*, and Y. J. Yan
Optical line shapes of molecular aggregates: Hierarchical equations of motion method
J. Chem. Phys. 131, 094502 (2009)
5
J. Chem. Phys. 131, 034511 (2009)
6
Q. Shi*, L.-P. Chen, G.-J. Nan, R.-X. Xu*, and Y. J. Yan*
Electron transfer dynamics: Zusman equation versus exact theory
J. Chem. Phys. 130, 164518 (2009)
7
J. Chem. Phys. 130, 134505 (2009)
8
G.-J. Nan, Q. Shi*, and Z.-G. Shuai*
Non-perturbative time-convolutionless quantum master equation from the path integral approach
J. Chem. Phys. 130, 134106 (2009)
9
R.-H. Zheng*, W.-M. Wei, and Q. Shi*
J. Phys. Chem. A 113, 157 (2009)
10
Y.-P. Ma, S.-G. He*, X.-L. Ding, Z.-C. Wang, W. Xue, and Q. Shi*
Phys. Chem. Chem. Phys. 11, 2453 (2009)
11
Q. Shi*, L.-P. Chen, G.-J. Nan, R.-X. Xu*, and Y.-J. Yan*
Efficient hierarchical Liouville space propagator to quantum dissipative dynamics
2005-2008
1
J. Chem. Phys. 129, 124505 (2008)
2
Q. Shi, P. Liu, and G. A. Voth*
J. Phys. Chem. B 112, 16230 (2008)
3
P. Liu, Q. Shi, H. Daume, and G. A. Voth*
A Bayesian statistics approach to multiscale coarse graining
J. Chem. Phys. 129, 214114 (2008)
4
P. Liu, Q. Shi, E. Lyman, and G. A. Voth*
Reconstructing atomistic detail for coarse-grained models with resolution exchange
J. Chem. Phys. 129, 114103 (2008)
5
Q. Shi, S. Izvekov, and G. A. Voth
Mixed atomistic and coarse-grained molecular dynamics: simulation of a membrane-bound ion channel
J. Phys. Chem. B 110, 15045 (2006)
6
Multi-scale modeling of phase separation in mixed lipid bilayers
7
J. Phys. Chem. A 109, 5527 (2005)
8
2001-2004
1
J. Chem. Phys. 121, 3393 (2004)
2
J. Phys. Chem. A 108, 6109 (2004)
3
A semiclassical generalized quantum master equation for an arbitrary system-bath coupling
J. Chem. Phys. 120, 10647 (2004)
4
J. Chem. Phys. 119, 12063 (2003)
5
Stimulated Raman adiabatic passage in the presence of dephasing
J. Chem. Phys. 119, 11733 (2003)
6
J. Chem. Phys. 119, 9030 (2003)
7
Vibrational energy relaxation in liquid oxygen from a semiclassical molecular dynamics simulation
J. Phys. Chem. A 107, 9070 (2003)
8
A semiclassical theory of vibrational energy relaxation in the condensed phase
J. Phys. Chem. A 107, 9059 (2003)
9
A relationship between semiclassical and centroid correlation functions
J. Chem. Phys. 118, 8173 (2003)
10
Vibrational energy relaxation rate constants from linear response theory
J. Chem. Phys. 118, 7562 (2003)
11
Navrotskaya, Q. Shi, and E. Geva
Israel J. Chem. 42, 225 (2002)
12
L.-Y. Hao, Q. Shi, G.-R. Wu, Q. Li, F. Dang, Q.-S. Zhu, and H. Zhang
Cylindrical mirror multipass Lissajous system for laser photoacoustic spectroscopy
Rev. Sci. Instrum. 73, 2079 (2002)
13
L.-Y. Hao, Z. Ren, Q. Shi, J.-L. Wu, Y. Zheng, J.-J. Zheng, and Q.-S. Zhu
A new cylindrical photoacoustic cell with improved performance
Rev. Sci. Instrum. 73, 404 (2002)
14
J. Chem. Phys. 116, 3223 (2002)
15
E. Geva, Q. Shi, and G. A. Voth
Quantum-mechanical reaction rate constants from centroid molecular dynamics simulations
J. Chem. Phys. 115, 9209 (2001)
16
Q. Shi, Q. Ran, W. S. Tam, J. W.-H. Leung, and A.S.C. Cheung
1997-2000
1
H. Jiang, Q. Shi, and A.S.C. Cheung
Hyperfine structure in the A2 – X2 bands of 91ZrN
J. Mol. Spectrosc. 200, 283 (2000)
2
L.-Y. Hao, J.-X. Han, Q. Shi, J.-H. Zhang, and Q.-S. Zhu
A highly sensitive photoacoustic spectrometer for near infrared overtone
Rev. Sci. Instrum. 71, 1975 (2000)
3
4
D. Wang, Q. Shi, and Q.-S. Zhu
An ab initio quartic force filed of PH3
J. Chem. Phys. 112, 9624 (2000)
5
Q. Shi, D.-H. Huang, and Q.-S. Zhu
Vibrational energy redistribution in single-atom manipulation by scanning tunneling microscope
Jpn. J. Appl. Phys. Part 1, 38, 3856 (1999)
6
程继新,徐瑞雪,史强,朱清时
Selective bond-breakage in a polyatomic molecule
化学物理学报11, 530 (1998)
7
史强,朱清时
用扫描隧道显微术进行单原子操纵的机理研究
物理学进展18, 177 (1998)
8
史强,胡水明,陈军,郝绿原,韩家祥,朱清时
新型高性能激光光声光谱球形光声池:理论和实验研究
化学物理学报11, 20 (1998)
9
10