Neil Qiang Su

29PUBLICATIONS
11CO-AUTHORS
Radiation and matterComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Theoretical quantum chemistryOrganometallic chemistryCatalysis and mechanisms of reactions
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Publications (29)

|Mar 05, 2026
Adaptive Sampling of Singularities and Long Tails for Monte Carlo Integration of Electron Correlation.

Meng Yan, Ziying Yuan, Yi-Fan Yao

|Feb 02, 2026
Multi-Objective Optimization of Approximate Functionals via Implicit Interdependency Modeling.

Ziying Yuan, Neil Qiang Su

|Oct 27, 2025
A Benchmark Database for Spin-Flip Gap Calculations in Single- and Multireference Systems Using ΔDFT and Beyond.

Xiang Li, Wenna Ai, Neil Qiang Su

|Jul 03, 2025
Dynamic Coordination Modulation Governs Enantioselectivity in Rhodium-Catalyzed Hydrogenation with Mono- and Bidentate Phosphine Ligands.

Zhike Yang, Wenna Ai, Neil Qiang Su

|May 28, 2025
Unveiling the Delicate Balance of Polarity and Strain Effect in Determining the Site-Selective Intramolecular Hydrogen Atom Transfers.

Zhonghua Hao, Wenna Ai, Neil Qiang Su

|Apr 14, 2025
From Li2CO3 to Li2C2O4: Understanding Discharge Product Decomposition in Li-CO2 Batteries.

Lixin Xiong, Neil Qiang Su

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Frequent Collaborators

8 joint publications

Wei-Hai Fang

7 joint publications

Weitao Yang

1 joint publications

Xuyan Ru

1 joint publications

David N Beratan