Wei Wu

49PUBLICATIONS
32CO-AUTHORS
Condensed matter modelling and density functional theoryPolymerisation mechanismsAtomic and molecular physicsComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Mathematical aspects of general relativity
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Publications (49)

|Jul 22, 2026
Information Gain from Density-Based Reactivity Theory Reveals Charge-Shift Bonding in Real Space.

|Jul 03, 2026
Unraveling the Electronic Origin of Selectivity in Ambimodal Transition States with Valence Bond Theory.

|Jun 18, 2026
Mapping the Energy Flow of Cooperativity: Real-Space Energy Decomposition Analysis of the Three-Body Effect.

|May 28, 2026
Toward Robust Three-State Diabatization: A Systematic Benchmark of O(3) Transformation Parameterizations.

|Apr 08, 2026
Formal O(N3) scaling GW calculations by block tensor decomposition for large molecule systems.

Yueyang Zhang, Wei Wu, Peifeng Su

|Jan 09, 2026
Bonding Nature of Diabatic Representation in Nonlinear Hydrogen Atom Transfer Reactions.

Yang Zhang, Guoxia Gou, Jiao Li

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Frequent Collaborators

23 joint publications

Peifeng Su

9 joint publications

Chen Zhou

7 joint publications

Zhenhua Chen

6 joint publications

Yirong Mo