Peifeng Su

33PUBLICATIONS
25CO-AUTHORS
Atomic and molecular physicsComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Mathematical aspects of general relativityMain group metal chemistryStatistical mechanics, physical combinatorics and mathematical aspects of condensed matter
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Publications (33)

|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 21, 2026
Unveiling the nature of ligand-modulated argentophilic interactions: a theoretical study of intra- and intermolecular silver complexes.

Yuan Xu, Shan Liao, Peifeng Su

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

Yang Zhang, Guoxia Gou, Jiao Li

|Nov 04, 2025
Block tensor decomposition: A dual-grid scheme with a formal O(N3) scale for THC decomposition of molecular systems.

Yueyang Zhang, Xuewei Xiong, Wei Wu

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Frequent Collaborators

23 joint publications

Wei Wu

5 joint publications

Yueyang Zhang

3 joint publications

Yang Zhang

3 joint publications

Xuewei Xiong