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Kaiqi Li

Beihang University (BUAA) - School of Materials Science and Engineering

SCHOLARLY PAPERS

4

DOWNLOADS

174

TOTAL CITATIONS

0

Scholarly Papers (4)

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1.

Diffusion-Assisted Displacive Transformation in Yttrium-Doped Sb 2Te 3 Phase Change Materials

Number of pages: 30 Posted: 05 Jan 2023
Kaiqi Li, Bin Liu, Jian Zhou, Stephen R. Elliott and Zhimei Sun
Beihang University (BUAA) - School of Materials Science and Engineering, Beihang University (BUAA) - School of Integrated Circuit Science and Engineering, Beihang University (BUAA) - School of Materials Science and Engineering, Beihang University (BUAA) - School of Materials Science and Engineering and Beihang University (BUAA) - School of Materials Science and Engineering
Downloads 90 (747,755)

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Phase-change memory, displacive transformation, antimony telluride, molecular dynamics.

2.

Atomistic insights into the full-cycle switching of Y-doped Sb2Te3 phase change memory

Downloads 35 (1,304,549)

Atomistic insights into the full-cycle switching of Y-doped Sb2Te3 phase change memory

Number of pages: 24 Posted: 11 Feb 2026
Kaiqi Li, Xuanguang Zhang, Hongming Chen, Bingke Xiang, Jian Zhou, Bin Liu and Zhimei Sun
Beihang University (BUAA) - School of Materials Science and Engineering, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Beihang University (BUAA) - School of Materials Science and Engineering, Beihang University (BUAA) - School of Integrated Circuit Science and Engineering and Beihang University (BUAA) - School of Materials Science and Engineering
Downloads 18 (1,548,841)

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Machine learning interatomic potentials, molecular dynamics, phase change materials, antimony telluride, crystallization

Atomistic insights into the full-cycle switching of Y-doped Sb2Te3 phase change memory

Number of pages: 24 Posted: 10 Feb 2026
Kaiqi Li, Xuanguang Zhang, Hongming Chen, Bingke Xiang, Jian Zhou, Bin Liu and Zhimei Sun
Beihang University (BUAA) - School of Materials Science and Engineering, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Beihang University (BUAA) - School of Materials Science and Engineering, Beihang University (BUAA) - School of Integrated Circuit Science and Engineering and Beihang University (BUAA) - School of Materials Science and Engineering
Downloads 17 (1,559,710)

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Machine learning interatomic potentials, molecular dynamics, phase change materials, antimony telluride, crystallization

3.

Understanding Stacking Fault Energy of Nbmotaw High Entropy Alloys by Interpretable Machine Learning

Number of pages: 28 Posted: 17 Apr 2024
Zefeng Li, Kaiqi Li, Jian Zhou and Zhimei Sun
affiliation not provided to SSRN, Beihang University (BUAA) - School of Materials Science and Engineering, Beihang University (BUAA) - School of Materials Science and Engineering and Beihang University (BUAA) - School of Materials Science and Engineering
Downloads 25 (1,385,945)

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High entropy alloys, stacking fault energy, Machine learning, symbolic regression, machine learning force fields

4.

Efficient GPU-Accelerated Training of a Neuroevolution Potential with Analytical Gradients

Number of pages: 45 Posted: 23 Sep 2025
Hongfu Huang, Junhao Peng, Kaiqi Li, Jian Zhou and Zhimei Sun
affiliation not provided to SSRN, Guangdong University of Technology, Beihang University (BUAA) - School of Materials Science and Engineering, Beihang University (BUAA) - School of Materials Science and Engineering and Beihang University (BUAA) - School of Materials Science and Engineering
Downloads 24 (1,411,822)

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Machine-Learned Interatomic Potential, Analytical Gradient, Gradient Descent, Neuroevolution Potential