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Qi Yu — most-cited papers & profile · AI for Science
← authors
·
overview
Qi Yu
8
papers ·
12
citations ·
0
h-index
Rochester Institute of Technology
Google Scholar ↗
Semantic Scholar ↗
OpenAlex ↗
Most-cited papers
The quantum nature of ubiquitous vibrational features revealed for ethylene glycol
2025 · 1 citations
Permutationally invariant polynomial regression for energies and gradients, using reverse differentiation, achieves orders of magnitude speed-up with high precision compared to other machine learning methods
2021
Quantum calculations on a new CCSD(T) machine-learned PES reveal the leaky nature of gas-phase $trans$ and $gauche$ ethanol conformers
2022
Top co-authors
and Joel M. Bowman
· 3
Apurba Nandi
· 3
Riccardo Conte
· 3
Chen Qu
· 2
Paul L. Houston
· 2
Chen Qu
· 1
Paul L. Houston
· 1
Priyanka Pandey
· 1
Topics
Chemistry
Physics ML