Combining Kinetic Monte Carlo and Machine Learning for Computational Design of Functional Polymers Prepared by Controlled Radical Polymerization

Project: Research

結合動力學蒙特卡羅和機器學習對活性自由基聚合製備的功能聚合物進行計算機輔助設計

Status	Active
Effective start/end date	1/01/23 → 30/06/26

Deep learning-assisted discovery of protein entangling motifs
Deng, P., Xu, L., Wei, Y., Sun, F., Li, L., Zhang, W. B. & Gao, H., 10 Mar 2025, In: Biomacromolecules. 26, 3, p. 1520-1529 10 p.
Research output: Contribution to journal › Journal Article › peer-review
2 Link opens in a new tab Citations (Scopus)
Using Active Learning for the Computational Design of Polymer Molecular Weight Distributions
Zhou, H., Fang, Y. & Gao, H., 17 Apr 2024, In: ACS Engineering Au. 4, 2, p. 231-240 10 p.
Research output: Contribution to journal › Journal Article › peer-review

Open Access
13 Link opens in a new tab Citations (Scopus)
Scaling Acceleration Algorithm for Hybrid Kinetic Monte Carlo Simulation of Linear Radical Polymerization
Fang, Y. & Gao, H., 14 Nov 2023, In: Macromolecules. 56, 21, p. 8484-8496 13 p.
Research output: Contribution to journal › Journal Article › peer-review
18 Link opens in a new tab Citations (Scopus)

Project Details