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Phase Transition between Crystalline Variants of Ordinary Ice.
Li M, Zhang J, Niu H, Lei YK, Han X, Yang L, Ye Z, Yang YI, Gao YQ. Li M, et al. Among authors: yang l, yang yi. J Phys Chem Lett. 2022 Sep 15;13(36):8601-8606. doi: 10.1021/acs.jpclett.2c02176. Epub 2022 Sep 8. J Phys Chem Lett. 2022. PMID: 36073968
Targeted Adversarial Learning Optimized Sampling.
Zhang J, Yang YI, Noé F. Zhang J, et al. Among authors: yang yi. J Phys Chem Lett. 2019 Oct 3;10(19):5791-5797. doi: 10.1021/acs.jpclett.9b02173. Epub 2019 Sep 18. J Phys Chem Lett. 2019. PMID: 31522495
Deep Representation Learning for Complex Free-Energy Landscapes.
Zhang J, Lei YK, Che X, Zhang Z, Yang YI, Gao YQ. Zhang J, et al. Among authors: yang yi. J Phys Chem Lett. 2019 Sep 19;10(18):5571-5576. doi: 10.1021/acs.jpclett.9b02012. Epub 2019 Sep 5. J Phys Chem Lett. 2019. PMID: 31476868
Enhanced sampling in molecular dynamics.
Yang YI, Shao Q, Zhang J, Yang L, Gao YQ. Yang YI, et al. Among authors: yang l. J Chem Phys. 2019 Aug 21;151(7):070902. doi: 10.1063/1.5109531. J Chem Phys. 2019. PMID: 31438687
A Perspective on Deep Learning for Molecular Modeling and Simulations.
Zhang J, Lei YK, Zhang Z, Chang J, Li M, Han X, Yang L, Yang YI, Gao YQ. Zhang J, et al. Among authors: yang l, yang yi. J Phys Chem A. 2020 Aug 27;124(34):6745-6763. doi: 10.1021/acs.jpca.0c04473. Epub 2020 Jul 29. J Phys Chem A. 2020. PMID: 32786668
6,148 results