Pinyuan Li

Emory University — United States

Materials Science · Physical Sciences

2h-index32citations9works0.32yr avg
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Research Topics

Machine Learning in Materials Science(4), Green IT and Sustainability(3), Advanced Chemical Physics Studies(2), Computational Drug Discovery Methods(2), Analytical Chemistry and Sensors(2)

Publications9 total

Data-Driven Recommendation of Optimal Tuning Scheme for Range-Separated Hybrid Functionals in Solution-Phase UV/Vis Absorption Energy Prediction
Journal of Chemical Theory and Computation·2025· 1 citedOpen Access
Data-Driven Recommendation of Optimal Tuning Scheme for Range-Separated Hybrid Functionals in Solution-Phase UV/vis Absorption Energy Prediction
2025
Data-Driven Recommendation of Optimal Tuning Scheme for Range-Separated Hybrid Functionals in Solution-Phase UV/vis Absorption Energy Prediction
2025Open Access
Data-Driven Recommendation of Optimal Tuning Scheme for Range-Separated Hybrid Functionals in Solution Phase Absorption Energy Prediction
2025Open Access
∆-Machine Learning for Quantum Chemistry Prediction of Solution-phase Molecular Properties at the Ground and Excited States
2023· 1 citedOpen Access
Δ-Machine learning for quantum chemistry prediction of solution-phase molecular properties at the ground and excited states
Physical Chemistry Chemical Physics·2023· 23 citedOpen Access
A Carbon Is a Carbon Is a Carbon: Orbital-Free Simulations of Hydrocarbon Chemistry without Resort to Atom Types
The Journal of Physical Chemistry A·2022· 5 citedOpen Access
Bending the Curve: Molecular Manifestations of Electron Antisymmetry
ChemistryOpen·2021· 2 citedOpen Access
Tengger Shamo bian yuan biao tu ci xue xing zhi ji qi yi yi
Disiji Yanjiu·2012

Frequent Co-authors

Xu Chen(6), Fang Liu(6), Fangning Ren(4), Eugen Hruška(2), Jicun Li(2), Xinrui Song(2), Judith Herzfeld(2), Lechen Dong(2), Xiuming Liu(1), Liu Zhi(1), Bin Lü(1), Xuelian Guo(1), Guoyong Zhao(1), Mingming Ma(1), Hui Guo(1), Hua Feng(1), Qu Chen(1)