Research Progress
• Fundamentals of relativistic quantum mechanics
W. Liu, "The big picture of relativistic molecular quantum mechanics", Nat. Sci. Rev. doi: 10.1093/nsr/nwv081 (2016).
R. Zhao, Y. Zhang, Y. Xiao and W. Liu, "Exact two-component relativistic energy band theory and application", J. Chem. Phys. 144, 044105 (2016).
W. Liu, "Effective quantum electrodynamics Hamiltonians: A tutorial review", Int. J. Quantum Chem. 115, 631 (2015).

• ITS/SITS Enhanced sampling method
L. Yang, C.W. Liu, Q. Shao, J. Zhang, Y.Q. Gao, "From Thermodynamics to Kinetics: Enhanced Sampling of Rare Events", Acc. Chem. Res. 48, 947–955 (2015).
J. Zhang, I.Y. Yang, L. Yang, Y.Q. Gao, "Conformational Preadjustment in Aqueous Claisen Rearrangement Revealed by SITS-QM/MM MD Simulations", J. Phys. Chem. B 119, 5518-5530 (2015).
J. Zhang, I.Y. Yang, L. Yang, Y.Q. Gao, "Dynamics and Kinetics Study of "In-Water" Chemical Reactions by Enhanced Sampling of Reactive Trajectories", J. Phys. Chem. B 119, 14505-14514 (2015).

• First-principles many-body theory methods based on Green's function
H. Jiang and P. Blaha, "GW with linearized augmented planewaves extended by high-energy local orbitals", Phys. Rev. B in press (2016).
H. Jiang, "First-principles approaches for strongly correlated materials: a theoretical chemistry perspective" (Invited Review), Int. J. Quantum Chem. 115, 722-730 (2015).

• Path integral Liouville dynamics
J. Liu, Z. Zhang, "Path integral Liouville dynamics: Applications to infrared spectra of OH, water, ammonia, and methane", J. Chem. Phys. 144, 034307 (2016).
J. Liu, D. Li, X. Liu, "Further study of path integral Liouville dynamics", Scientia Sinica Chimica 46, 27 (2016).