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Journal of Chemical Theory and Computation
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December 14, 2020
Efficient Hybrid Density Functional Calculations for Large Periodic Systems Using Numerical Atomic Orbitals
Peize Lin, Xinguo Ren, Lixin He
The Journal of Physical Chemistry Letters
|
April 1, 2020
Accuracy of Localized Resolution of the Identity in Periodic Hybrid Functional Calculations with Numerical Atomic Orbitals
Peize Lin, Xinguo Ren, Lixin He
The Journal of Physical Chemistry. A
|
August 29, 2022
Reproducibility of Hybrid Density Functional Calculations for Equation-of-State Properties and Band Gaps
Yuyang Ji, Peize Lin, Xinguo Ren, et al.
Journal of Chemical Theory and Computation
|
March 20, 2025
Efficient Hybrid-Functional-Based Force and Stress Calculations for Periodic Systems with Thousands of Atoms
Peize Lin, Yuyang Ji, Lixin He, et al.
Journal of Chemical Theory and Computation
|
May 20, 2026
Low-Scaling GW Calculations of Quasi-Particle Energies for Extended Systems within the Numerical Atomic Orbital Framework
Min-Ye Zhang, Peize Lin, Rong Shi, et al.
Journal of Chemical Theory and Computation
|
April 28, 2026
Real-Time Time-Dependent Density Functional Theory Simulations with Range-Separated Hybrid Functionals for Periodic Systems
Yuyang Ji, Haotian Zhao, Peize Lin, et al.
Journal of Chemical Theory and Computation
|
August 11, 2025
Applying Space-Group Symmetry to Speed Up Hybrid-Functional Calculations within the Framework of Numerical Atomic Orbitals
Yu Cao, Min-Ye Zhang, Peize Lin, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 12, 2026
First-principles predictions of the diversity in the atomic structures and electronic properties of the reconstructed Si(111)-7 × 7 surface
Yuke Song, Shifang Li, Peize Lin, et al.
Nature Communications
|
October 11, 2024
A deep equivariant neural network approach for efficient hybrid density functional calculations
Zechen Tang, He Li, Peize Lin, et al.
The Science of the Total Environment
|
September 1, 2024
TROPOMI unravels transboundary transport pathways of atmospheric carbon monoxide in Tibetan Plateau
Peize Lin, Yuan Tian, Tobias Borsdorff, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 11) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
December 14, 2020
Efficient Hybrid Density Functional Calculations for Large Periodic Systems Using Numerical Atomic Orbitals
Peize Lin, Xinguo Ren, Lixin He
The Journal of Physical Chemistry Letters
|
April 1, 2020
Accuracy of Localized Resolution of the Identity in Periodic Hybrid Functional Calculations with Numerical Atomic Orbitals
Peize Lin, Xinguo Ren, Lixin He
The Journal of Physical Chemistry. A
|
August 29, 2022
Reproducibility of Hybrid Density Functional Calculations for Equation-of-State Properties and Band Gaps
Yuyang Ji, Peize Lin, Xinguo Ren, et al.
Journal of Chemical Theory and Computation
|
March 20, 2025
Efficient Hybrid-Functional-Based Force and Stress Calculations for Periodic Systems with Thousands of Atoms
Peize Lin, Yuyang Ji, Lixin He, et al.
Journal of Chemical Theory and Computation
|
May 20, 2026
Low-Scaling GW Calculations of Quasi-Particle Energies for Extended Systems within the Numerical Atomic Orbital Framework
Min-Ye Zhang, Peize Lin, Rong Shi, et al.
Journal of Chemical Theory and Computation
|
April 28, 2026
Real-Time Time-Dependent Density Functional Theory Simulations with Range-Separated Hybrid Functionals for Periodic Systems
Yuyang Ji, Haotian Zhao, Peize Lin, et al.
Journal of Chemical Theory and Computation
|
August 11, 2025
Applying Space-Group Symmetry to Speed Up Hybrid-Functional Calculations within the Framework of Numerical Atomic Orbitals
Yu Cao, Min-Ye Zhang, Peize Lin, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 12, 2026
First-principles predictions of the diversity in the atomic structures and electronic properties of the reconstructed Si(111)-7 × 7 surface
Yuke Song, Shifang Li, Peize Lin, et al.
Nature Communications
|
October 11, 2024
A deep equivariant neural network approach for efficient hybrid density functional calculations
Zechen Tang, He Li, Peize Lin, et al.
The Science of the Total Environment
|
September 1, 2024
TROPOMI unravels transboundary transport pathways of atmospheric carbon monoxide in Tibetan Plateau
Peize Lin, Yuan Tian, Tobias Borsdorff, et al.
Page
of 2