Wenjian Liu

50PUBLICATIONS
44CO-AUTHORS
Integrable systems (classical and quantum)Theoretical quantum chemistryComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Electrical energy generation (incl. renewables, excl. photovoltaics)Formal methods for software
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Publications (50)

|Sep 28, 2026
New features of BDF since 2020.

|Sep 08, 2026
Analytic First-Order Nonadiabatic Coupling Matrix Elements of Spin-Adapted Open-Shell Time-Dependent Density Functional Theory.

|Aug 08, 2026
PASPT2: A Size-Extensive and Size-Consistent Partial-Active-Space Multistate Multireference Second-Order Perturbation Theory for Strongly Correlated Electrons.

|Jun 22, 2026
AutoSTOP-RT-TDDFT: Adaptive and Selected Real-Time Time-Dependent Density Functional Theory for Simulation of X-Ray Absorptions.

|Mar 27, 2026
Hydrogen evolution electrocatalysts in high-fold degenerate topological semimetals with chiral structures.

Yan Wang, Heshan Yu, Qiunan Xu

|Mar 23, 2026
Unified MPI Parallelization of Wave Function Methods: iCIPT2 as a Showcase.

Qingpeng Wang, Ning Zhang, Wenjian Liu

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Frequent Collaborators

7 joint publications

Chenyu Wu

7 joint publications

Hao Wang

7 joint publications

Ning Zhang

6 joint publications

Yang Guo