Qi Ou

机构：Qi2, Centre de Géosciences, University of Edinburgh · ORCID：0000-0002-6400-7522

发表论文 97 篇 · 总被引 2634 次 · h-index 26

代表论文

ABACUS: An electronic structure analysis package for the AI era (2025 · The Journal of Chemical Physics · 被引 18)
Combining quantum chemistry, machine learning and rate theory for organic luminescent materials (2025 · Chemical Society Reviews · 被引 4)
Quantum mechanical nanoreactor simulations reveal PVC pyrolysis pathways (2025 · AIChE Journal · 被引 3)
Stochastic resolution of identity to CC2 for large systems: Oscillator strength and ground state gradient calculations (2025 · The Journal of Chemical Physics · 被引 2)
Computational Design Strategy for Aggregation-Induced Emission Luminogens: Modulating the S 1 /S 0 Minimum Energy Conical Intersection of Anthracene Derivatives through Substituent Effects (2025 · Journal of Chemical Theory and Computation · 被引 2)
Unifying Polymer Modeling and Design via a Conformation-Centric Generative Foundation Model (2025 · Research Square · 被引 1)