Qiming Sun

Soochow University — China

Physics and Astronomy · Physical Sciences

25h-index5.2kcitations69works1.42yr avg
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Research Topics

Advanced Chemical Physics Studies(24), Advanced NMR Techniques and Applications(13), Machine Learning in Materials Science(12), Spectroscopy and Quantum Chemical Studies(8), Catalysis and Oxidation Reactions(8)

Publications69 total

Silanol Nest‐Anchored Oligomeric Vanadium Oxides for Highly Stable and Efficient Propane Dehydrogenation
ChemCatChem·2026Open Access
Zeolite-integrated Brønsted acidity and metal sites for boosted hydrogen generation from ammonia borane methanolysis
Applied Catalysis A General·2026
Zeolite Nanosheet-Confined Pt–FeO <sub> <i>x</i> </sub> Catalysts for Reversible Hydrogen Cycling via the Methylcyclohexane–Toluene System
CCS Chemistry·2025Open Access
Enhancing PySCF-based quantum chemistry simulations with modern hardware, algorithms, and Python tools
APL Computational Physics·2025· 3 citedOpen Access
Engineering antiperovskite nitride for high-performing overall water splitting at ampere-level current densities
Chinese Chemical Letters·2025
Enhancing PySCF-based Quantum Chemistry Simulations with Modern Hardware, Algorithms, and Python Tools
arXiv (Cornell University)·2025Open Access
Optimized repeated impregnation-drying co-precipitation method for roll-to-roll industrial production: A case study on FeCo(OOH)x catalysts for the oxygen evolution reaction
Applied Surface Science·2025· 1 cited
Post Hartree-Fock II: coupled cluster
Theoretical and computational chemistry·2025
Post Hartree-Fock I: full configuration interaction
Theoretical and computational chemistry·2025
Optimized Repeated Impregnation-Drying Co-Precipitation Method for Roll-to-Roll Industrial Production: A Case Study on Feco(Ooh)X Catalysts for the Oxygen Evolution Reaction
SSRN Electronic Journal·2025Open Access
Parallel computation
Theoretical and computational chemistry·2025
Python programming environment
Theoretical and computational chemistry·2025
GPU programming
Theoretical and computational chemistry·2025
Meta-programming and non-numerical computation
Theoretical and computational chemistry·2025
Cation-Modulated Ni/Ni<sub>3</sub>N Compound Heterojunctions as Highly Efficient Bifunctional Electrocatalysts for Water Splitting
ACS Applied Materials & Interfaces·2024· 3 cited
Current progress in subseasonal-to-decadal prediction based on machine learning
Applied Computing and Geosciences·2024· 3 citedOpen Access
Quantum Computation of Conical Intersections on a Programmable Superconducting Quantum Processor
The Journal of Physical Chemistry Letters·2024· 7 cited
The updates in Libcint 6: More integrals, API refinements, and SIMD optimization techniques
The Journal of Chemical Physics·2024· 9 citedOpen Access
Engineering Antiperovskite Nitride for High-Performing Overall Water Splitting at Ampere-Level Current Densities
SSRN Electronic Journal·2024Open Access
Exploring Locality in Molecular Dirac-Coulomb-Breit Calculations: A Perspective
Journal of Chemical Theory and Computation·2023· 1 cited
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Frequent Co-authors

Garnet Kin‐Lic Chan(16), Wenjian Liu(8), Sheng Guo(7), Yunlong Xiao(7), Zhendong Li(6), James McClain(6), Timothy C. Berkelbach(5), Chee‐Kong Lee(5), George H. Booth(4), Elvira R. Sayfutyarova(4), Sebastian Wouters(4), Mário Motta(4), Zhichen Pu(4), Chang‐Yu Hsieh(4), Ushnish Ray(4), Liang Shi(4), Xiaosong Li(4), Nick S. Blunt(3), Junzi Liu(3), Sandeep Sharma(3)