Peize Lin

Chinese Academy of Sciences — China

Physics and Astronomy · Physical Sciences

12h-index706citations32works4.82yr avg
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Research Topics

Advanced Chemical Physics Studies(17), Machine Learning in Materials Science(15), Electron and X-Ray Spectroscopy Techniques(5), Inorganic Fluorides and Related Compounds(4), Atmospheric chemistry and aerosols(3)

Publications32 total

ABACUS: An electronic structure analysis package for the AI era
The Journal of Chemical Physics·2025· 2 cited
Applying Space-Group Symmetry to Speed Up Hybrid-Functional Calculations within the Framework of Numerical Atomic Orbitals
Journal of Chemical Theory and Computation·2025· 1 cited
Applying Space-Group Symmetry to Speed up Hybrid-Functional Calculations within the Framework of Numerical Atomic Orbitals
arXiv (Cornell University)·2025Open Access
Efficient Hybrid-Functional-Based Force and Stress Calculations for Periodic Systems with Thousands of Atoms
Journal of Chemical Theory and Computation·2025· 3 cited
ABACUS: An Electronic Structure Analysis Package for the AI Era
arXiv (Cornell University)·2025· 1 citedOpen Access
LibRPA: A software package for low-scaling first-principles calculations of random phase approximation electron correlation energy based on numerical atomic orbitals
Computer Physics Communications·2025· 3 cited
Efficient hybrid-functional-based force and stress calculations for periodic systems with thousands of atoms
arXiv (Cornell University)·2024Open Access
A deep equivariant neural network approach for efficient hybrid density functional calculations
Nature Communications·2024· 25 citedOpen Access
TROPOMI unravels transboundary transport pathways of atmospheric carbon monoxide in Tibetan Plateau
The Science of The Total Environment·2024· 2 cited
Geometric and electronic structures of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi mathvariant="normal">Cs</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:mi>B</mml:mi></mml:mrow><mml:mrow><mml:msup><mml:mi>B</mml:mi><mml:mo>′</mml:mo></mml:msup><mml:msub><mml:mi>X</mml:mi><mml:mn>6</mml:mn></mml:msub></mml:mrow></mml:math> double perovskites: The importance of exact exchange
Physical Review Research·2024· 10 citedOpen Access
LibRPA: A Software Package for Low-scaling First-principles Calculations of Random Phase Approximation Electron Correlation Energy Based on Numerical Atomic Orbitals
arXiv (Cornell University)·2024Open Access
Subquadratic-scaling real-space random phase approximation correlation energy calculations for periodic systems with numerical atomic orbitals
Physical review. B./Physical review. B·2024· 20 cited
Tropomi Unravels Transboundary Transport Pathways of Atmospheric Carbon Monoxide in Tibet, China
SSRN Electronic Journal·2024Open Access
Librpa: A Software Package for Low-Scaling First-Principles Calculations of Random Phase Approximation Electron Correlation Energy Based on Numerical Atomic Orbitals
SSRN Electronic Journal·2024Open Access
Ab initio electronic structure calculations based on numerical atomic orbitals: Basic fomalisms and recent progresses
Wiley Interdisciplinary Reviews Computational Molecular Science·2023· 27 cited
Sub-quadratic scaling real-space random-phase approximation correlation energy calculations for periodic systems with numerical atomic orbitals
arXiv (Cornell University)·2023Open Access
Efficient hybrid density functional calculation by deep learning
arXiv (Cornell University)·2023· 3 citedOpen Access
First-principles calculations of plasmon excitations in graphene, silicene, and germanene
Physical review. B./Physical review. B·2023· 21 cited
Investigating the Performance of Carbon Monoxide and Methane Observations from Sentinel-5 Precursor in China
Remote Sensing·2022· 9 citedOpen Access
First-principle calculations of plasmon excitations in graphene,silicene and germanene
arXiv (Cornell University)·2022Open Access
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Frequent Co-authors

Xinguo Ren(23), Lixin He(22), Min‐Ye Zhang(7), Mohan Chen(6), Rong Shi(5), Yuyang Ji(5), Wenhui Duan(3), Lixin He(3), Yu Cao(3), Yuyang Ji(3), Xinguo Ren(3), Lin Lin(2), Chao Yang(2), Chengqiang Lu(2), Zhenya Huang(2), Xiaohui Liu(2), Gan Jin(2), Hong Jiang(2), Yong Xu(2), Yuan Tian(2)