Personal Information
Professor Supervisor of Doctorate Candidates Supervisor of Master's Candidates
Paper Publications
-
[1]
K. He,
C. Feng,
L. Bie,
Y. Zhang*,
J. Gao*,
and W. Liu,
Portable GPU Acceleration of snMECP+COSx via Algorithm−Architecture Codesign,
J. Phys. Chem. A
2026,
https://doi.org/10.1021/acs.jpca.6c05596.
-
[2]
C. Liu,
N. Zhang,
and W. Liu*,
Putting PASPT2 on a Firmer Basis,
Precis. Chem.
2026,
https://doi.org/10.1021/prechem.6c00106.
-
[3]
N. Zhang*,
G. Song,
L. Qin*,
Y. Zhang*,
H. Wang*,
Y. Guo*,
Y. Lei*,
Z. Zhou*,
Q. Chen*,
Z. Qu*,
H. Ren*,
J. Gao*,
W. Zou*,
B. Suo*,
Z. Wang*,
and W. Liu*,
New features of BDF since 2020,
J. Chem. Phys.
2026,
165,
122501.
-
[4]
X. L. Wang,
X. W. Wang,
Z. Wang*,
and W. Liu*,
Analytic First-Order Nonadiabatic Coupling Matrix Elements of Spin- Adapted Open-Shell Time-Depen...,
J. Chem. Theory Comput.
2026,
22,
9014-9038.
-
[5]
W. Liu*,
On the Bottom-Up Construction of Many-Electron Relativistic QED Hamiltonian,
International Journal ofQuantum Chemistry
2026,
126:e70277,
-
[6]
Y. Zhao,
H. Wang,
Y. Lei,
N. Zhang,
W. Liu*,
Z. Wang*,
and X. Zhang*,
Nuclear Quantum Effects Matter: Zero-Point Energy Governs the Chemoselectivity of Desaturation ov...,
ACS Catal.
2026,
16,
15378−15393.
-
[7]
L. Ye,
H. Wang*,
Y. Zhang,
and W. Liu*,
AutoSTOP-RT-TDDFT: Adaptive and Selected Real-Time Time-Dependent Density Functional Theory for S...,
Journal of Computational Chemistry
2026,
47,
-
[8]
Y. Wang,
H. Yu,
Q. Xu*,
and W. Liu,
Hydrogen evolution electrocatalysts in high-fold degenerate topological semimetals with chiral st...,
Communications Chemistry
2026,
9,
184.
-
[9]
C. Liu,
N. Zhang,
and W. Liu*,
PASPT2: A Size-Extensive and Size-Consistent Partial-Active-Space Multistate Multireference Secon...,
Precis. Chem.
2026,
4,
997-1015.
-
[10]
Q. Wang,
N. Zhang*,
and W. Liu*,
Unified MPI Parallelization of Wave Function Methods: iCIPT2 as a Showcase,
J. Chem. Theory Comput.
2026,
22,
3499-3515.