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Pengyue Gao

Showing results (1-10 of 22) with videos related to

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Accounts of Chemical Research|July 19, 2022
Crystal Structure Prediction via Efficient Sampling of the Potential Energy SurfaceYanchao Wang, Jian Lv, Pengyue Gao, et al.
National Science Review|June 27, 2025
Reliable prediction of protein-protein binding affinity changes upon mutations with Pythia-PPIFangting Tao, Jinyuan Sun, Pengyue Gao, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal|January 6, 2022
Pressure-stabilized high-energy-density material YN<sub>10</sub>Wencheng Lu, Kun Hao, Siyu Liu, et al.
Frontiers in Nutrition|September 17, 2024
Sex steroid hormone residues in milk and their potential risks for breast and prostate cancerPengyue Gao, Chengyi Li, Quan Gong, et al.
Science Bulletin|January 20, 2023
Interface structure prediction via CALYPSO methodBo Gao, Pengyue Gao, Shaohua Lu, et al.
The Journal of Physical Chemistry Letters|September 21, 2020
Combining Machine Learning Potential and Structure Prediction for Accelerated Materials Design and DiscoveryQunchao Tong, Pengyue Gao, Hanyu Liu, et al.
The New England Journal of Medicine|March 1, 2023
Neutralization of BQ.1, BQ.1.1, and XBB with RBD-Dimer VaccinesDedong Li, Minrun Duan, Xiao Wang, et al.
The Journal of Chemical Physics|January 9, 2022
A symmetry-orientated divide-and-conquer method for crystal structure predictionXuecheng Shao, Jian Lv, Peng Liu, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal|June 18, 2019
Ab initio electronic structure calculations using a real-space Chebyshev-filtered subspace iteration methodQiang Xu, Sheng Wang, Lantian Xue, et al.
The Journal of Physical Chemistry Letters|July 21, 2025
Formability of ABS<sub>3</sub> PerovskitesHaitao Li, Lu Mao, Dongdong He, et al.
Pageof 3

Showing results (1-10 of 22) with videos related to

Sort By:
Pageof 3
Accounts of Chemical Research|July 19, 2022
Crystal Structure Prediction via Efficient Sampling of the Potential Energy SurfaceYanchao Wang, Jian Lv, Pengyue Gao, et al.
National Science Review|June 27, 2025
Reliable prediction of protein-protein binding affinity changes upon mutations with Pythia-PPIFangting Tao, Jinyuan Sun, Pengyue Gao, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal|January 6, 2022
Pressure-stabilized high-energy-density material YN<sub>10</sub>Wencheng Lu, Kun Hao, Siyu Liu, et al.
Frontiers in Nutrition|September 17, 2024
Sex steroid hormone residues in milk and their potential risks for breast and prostate cancerPengyue Gao, Chengyi Li, Quan Gong, et al.
Science Bulletin|January 20, 2023
Interface structure prediction via CALYPSO methodBo Gao, Pengyue Gao, Shaohua Lu, et al.
The Journal of Physical Chemistry Letters|September 21, 2020
Combining Machine Learning Potential and Structure Prediction for Accelerated Materials Design and DiscoveryQunchao Tong, Pengyue Gao, Hanyu Liu, et al.
The New England Journal of Medicine|March 1, 2023
Neutralization of BQ.1, BQ.1.1, and XBB with RBD-Dimer VaccinesDedong Li, Minrun Duan, Xiao Wang, et al.
The Journal of Chemical Physics|January 9, 2022
A symmetry-orientated divide-and-conquer method for crystal structure predictionXuecheng Shao, Jian Lv, Peng Liu, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal|June 18, 2019
Ab initio electronic structure calculations using a real-space Chebyshev-filtered subspace iteration methodQiang Xu, Sheng Wang, Lantian Xue, et al.
The Journal of Physical Chemistry Letters|July 21, 2025
Formability of ABS<sub>3</sub> PerovskitesHaitao Li, Lu Mao, Dongdong He, et al.
Pageof 3