Yi Liu - Publications, H-index & Citations

刘毅 (Yi Liu)

shanghai university

21H指数

102论文数

1.5K被引数

收录论文 47

发表时间

Machine Learning-Driven Refinement of Reactive Force Fields via Hierarchical “Center-Environment” Features for Energetic Molecular Crystals 机器学习驱动的反应力场层次“中心-环境”特征优化方法在含能分子晶体中的应用

Molecules

IF4.6

2026-08-13

OAAI

Qi He; Pengju Wang; Xudong He; Jincang Zhang; Yi Liu

Balancing Thermal Management and Wear Resistance via Tungsten-Mediated Architectural Stabilization of Cu-Based Interpenetrating Phase Composites 通过钨介导的构筑稳定化提高铜基互穿相复合材料的传热管理及耐磨性能

Materials

IF3.2

2026-08-11

OAAI

Han Hu; Ziqiang Dong; Yanjie Liu; Yi Liu

Transfer Learning from Homogeneous to Heterogeneous: Fine-Tuning a Pretrained Interatomic Potential for Multicomponent Mo Alloys with Localized Substitutional Alloying 从同质到异质的迁移学习：针对具有局域置换固溶体的多组分Mo-Al合金微调预训练的原子间势

Materials

IF3.2

2026-04-24

OAAI

Lixin Fang; Liqin Qin; Limin Zhang; Hao Zhou; Xudong He; Zekun Ren; Tongyi Zhang; Yi Liu

Revealing Relationships Between Composition, Microstructure, and Mechanical Property of Molybdenum Alloys via High-throughput Experiments

Journal of Alloys and Compounds

IF6.3

2026-02-06

PREAI

Pengfei Xu; Liqin Qin; Lelin Qiao; Xuewen Li; Pengsheng Wang; Xinyu Ni; Yanjie Liu; Yi Liu

Unraveling cyclohexane combustion mechanisms with ReaxFFCHO-S22 reactive molecular dynamics simulations 使用ReaxFFCHO-S22反应性分子动力学模拟解析环己烷燃烧机理

Journal of the Energy Institute

IF6.2

2025-10-18

PREAI

Bin Xiao; Qingqing Wang; Qi He; Xudong He; Yanjie Liu; Tianhao Yang; Bowen Li; Ning Wang; William A. Goddard; Yi Liu

Integrating Materials Representations Into Feature Engineering in Machine Learning for Crystalline Materials: From Local to Global Chemistry-Structure Information Coupling 将材料表示融入晶体材料的机器学习特征工程：从局部到全局的化学-结构信息耦合

WIREs Computational Molecular Science

IF0

2025-08-11

PREAI

Bin Xiao; Yuchao Tang; Yi Liu

Full-spectrum solar utilization with photoelectric-photothermal synergy for converting CO2 to value-added hydrocarbon 全谱太阳能利用与光电-光热协同转化CO2为增值烃类

Chemical Engineering Journal

IF13.2

2025-08-05

PREAI

Chenyu Xu; Yi Liu; Meng-Nan Zhu; Peng-Fei Sui; Yi-Cheng Wang; Steven Bergens; Karthik Shankar; Jing-Li Luo

Microscopic insights into the methanol oxidation mechanism in high-temperature supercritical water 高温超临界水中甲醇氧化机制的微观见解

Journal of the Energy Institute

IF6.2

2025-05-14

PREAI

Kaiqi Zhang; Xiao Ma; Yi Liu; Shijin Shuai

Deep Learning-Based Framework for Efficient Design of Multicomponent High Hardness High Entropy Alloys 基于深度学习的多组元高硬度高熵合金高效设计框架

ACS APPLIED MATERIALS & INTERFACES

IF8.2

2025-03-21

PREAI

Han, YX; Wang, H; Xu, PF; Chen, QC; Zhang, R; Liu, Y

Composition design of gold-platinum alloy with ultra-low magnetic susceptibility: First-principles and experimental validation

JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY

IF14.3

2025-03-01

PREAI

Wu, Wei; Lu, Yanli; Zhai, Chenwei; Ouyang, Lian; Yang, Wenqing; Hu, Rui; Liu, Yi; Fu, Quan

Re enhancement effects: Development of a ReaxFFNiAlRe reactive force field for Ni-based superalloys Re增强效应: 镍基高温合金ReaxFFNiAlRe反应力场的发展

ACTA MATERIALIA

IF9.3

2025-02-01

PREAI

Du, Wan; Fan, Xue; Xiao, Bin; Sun, Junxi; Wang, Qingqing; Tang, Yuchao; Zhang, Limin; Goddard, William A.; Liu, Yi

Automatic pipeline for information of curve graphs in papers based on deep learning

INTERNATIONAL JOURNAL OF MACHINE LEARNING AND CYBERNETICS

IF2.7

2025-01-05

OAAI

Han, Yuexing; Xia, Jinhua; Zhang, Rui; Wang, Bing; Liu, Yi; Pan, Deng; Wang, Yinggang; Zhang, Jiawang; Chen, Qiaochuan

Reconstructive metal-semiconductor phase transition between nonlayered and layered tungsten dinitride

APPLIED PHYSICS LETTERS

IF3.6

2024-09-23

PREAI

Tang, Xiaoting; Wang, Shijie; Zhou, Jun; Burton, Lee A.; Feng, Yuanping; Liu, Yi

One-pot green solid-state synthesis of Cu2O/microcrystalline cellulose composite with high anti-pathogenic activity 一锅法绿色固相合成高抗病活性Cu2O/微晶纤维素复合物

CARBOHYDRATE POLYMERS

IF12.5

2024-05-01

OAAI

Sun, Ke; Hu, Han; He, Zirong; Xiao, Zhuojun; Jin, Xiaoqian; Zheng, Chen; Liu, Yi

Strain-Induced Ferromagnetism in Monolayer T-Phase VTe2: Unveiling Magnetic States and Anisotropy for Spintronics Advancement 单层T相VTe2中的应变感应铁磁性: 揭示自旋电子学发展的磁性状态和各向异性

NANOMATERIALS

IF4.3

2024-04-18

OAAI

Tang, Xiaoting; Zhou, Jun; Wong, Nancy Lai Mun; Chai, Jianwei; Liu, Yi; Wang, Shijie; Song, Xiaohe

Element-configuration dependent first-principles machine learning studies of multiple alloying effects on the structure stability of Co3(Al, W)

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2024-01-01

PREAI

Guo, Jing; Xiao, Bin; Tang, Yuchao; Li, Yihang; Zhai, Dong; Fan, Xue; Liu, Yi

Accelerating materials discovery for electrocatalytic water oxidation via center-environment deep learning in spinel oxides 通过尖晶石氧化物中的中心环境深度学习加速电催化水氧化的材料发现

JOURNAL OF MATERIALS CHEMISTRY A

IF9.5

2024-01-01

PREAI

Li, Yihang; Zhang, Xinying; Li, Tao; Chen, Yingying; Liu, Yi; Feng, Lingyan

A literature-mining method of integrating text and table extraction for materials science publications

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2023-10-01

PREAI

Zhang, Rui; Zhang, Jiawang; Chen, Qiaochuan; Wang, Bing; Liu, Yi; Qian, Quan; Pan, Deng; Xia, Jinhua; Wang, Yinggang; Han, Yuexing

Center-environment deep transfer machine learning across crystal structures: from spinel oxides to perovskite oxides

NPJ COMPUTATIONAL MATERIALS

IF11.9

2023-06-22

OAAI

Li, Yihang; Zhu, Ruijie; Wang, Yuanqing; Feng, Lingyan; Liu, Yi

Anti-Stokes Raman Scattering of the Smallest Carbon Nanowires Made of Long Linear Carbon Chains Inserted inside Single-Walled Carbon Nanotubes

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2023-06-14

PREAI

Chang, Weiwei; Luo, Tao; Zhu, Tianxiang; Li, Qianqian; Lu, Bo; Deng, Zhen-Yan; Liu, Yi; Maruyama, Takahiro; Zhao, Xinluo

研究方向