澳门银河网上赌场

研究方向:

1. 化工大数据

2．人工智能辅助材料筛选与设计

3．分离过程理论模拟

讲授课程:

1. 化工大数据 本科

2. 无机化学 本科

3. 无机化学实验 本科

学术兼职:

1. 海南省科技专家

学术成就:

毕业于美国佐治亚理工学院化学工程专业，辅修数据科学专业。师从AIChE Journal主编David Sholl教授，主要从事多孔材料扩散性能的多尺度理论计算研究。在机器学习、分子动力学、密度泛函、蒙特卡罗等计算理论及其应用上积累了丰富的研究经验。以第一作者发表包括J. Mater. Chem. A.和ACS Appl. Mater. Inter.在内的SCI论文7篇，其中中国科学院一区论文3篇（影响因子总和59.1）。论文共被Angew. Chem. Int. Ed.，Chem. Eng. J.和J. Chem. Theory Comput.等化工化学计算SCI期刊引用300余次，H因子11。获得授权发明专利2项。曾荣获Frederic Holloway Fellowship奖学金、河南省自然科学优秀学术论文三等奖、优秀教育工作者、南阳市自然科学优秀学术成果一等奖、天津大学科技创新先进个人等荣誉称号。

科研项目:

1. 海南大学科研启动基金，共价有机框架材料气体分离性能高通量预测，2023-1 至 2025-12，10万，主持。

2. 国家自然科学基金委员会, 联合基金项目, 双官能团有机配体支撑的铜配合物的设计、合成及其在均相催化中的应用, 2021-01-01 至 2023-12-31, 50万元, 参与。

3. National Science Fundation, Identifying and Utilizing Upper Bounds for Diffusion-based Separations using Metal Organic Frameworks, 2016-08 至 2019-08, 210万, 参与。

论著专利:

1. Yuhan Yang, Ifayoyinsola Ibikunle, Dorina Sava Gallis et al. Adapting UFF4MOF for heterometallic rare earth MOFs. ACS Applied Materials and Interface, 2022, 14, 54101.

2. Yuhan Yang, David Sholl. A systematic examination of the impacts of MOF flexibility on intracrystalline molecular diffusivities. Journal of Materials Chemistry A, 2022, 10, 4242.

3. Chu Han, Yuhan Yang (co-first), David S Sholl. Quantitatively predicting impact of structural flexibility on molecular diffusion in small pore metal–organic frameworks—A molecular dynamics study of hypothetical ZIF-8 polymorphs. The Journal of Physical Chemistry C, 2020, 124, 20203.

4. Yuhan Yang, Bo Li, Wenmin Liu et al. Cp*CoIII-catalyzed synthesis of pyrido [2',1':2,3] pyrimido[1,6-a]indol-5-iums via tandem C−H activation and subsequent annulation from 1-(Pyridin-2-yl)-1H-indoles and alkynes. The Journal of Organic Chemistry, 2016, 81, 11335.

5. Yuhan Yang, Huitao Fan, Jingpeng Xie et al. Facile preparation of multifunctional Fe3O4@SiO2@LaVO4:Eu3+ nanocomposites as potential drug carriers. Ceramics International, 2016, 42, 19445.

6. Yuhan Yang, Qingfa Wang, Hao Chen et al. Enhancing selective hydroconversion of C18 fatty acids into hydrocarbons by hydrogen-donors, Fuel, 2014, 133, 241.

7. Yuhan Yang, Qingfa Wang, Xiangwen Zhang et al. Hydrotreating of C18 fatty acids to hydrocarbons on sulphided NiW/SiO2–Al2O3. Fuel Processing Technology, 2013, 116, 165.

8. Shaoyu Wang, Yuhan Yang, Xu Liang et al. Ultrathin ionic COF Membrane via Polyelectrolyte‐Mediated Assembly for Efficient CO2 Separation. Advanced Functional Materials, 2023, //doi.org/10.1002/adfm.2300386.

9. Ting Li, Yuhan Yang, Baomin Luo et al. A bifunctional ligand enables gold-catalyzed hydroarylation of terminal alkynes under soft reaction conditions. Organic Letters, 2020, 22, 6045.

10. Ting Li, Yuhan Yang, Bo Li et al. Gold-catalyzed silyl-migrative cyclization of homopropargylic alcohols enabled by bifunctional biphenyl-2-ylphosphine and DFT studies. Organic letters, 2019, 21, 7791.

11. Ting Li, Yuhan Yang, Bo Li et al. Cobalt-catalyzed cross-dehydrogenative coupling between N-(2-pyridyl) and free indoles for the synthesis of unsymmetrical 2, 2’-biindoles. Chemical Communications, 2019, 55, 353.

12. Huitao Fan, Xiaojing Xing, Yuhan Yang et al. Triple function nanocomposites of porous silica-CoFe2O4-MWCNTs as a carrier for pH-sensitive anti-cancer drug controlled delivery. Dalton Transactions, 2017, 46, 14831.

13. Zhengdao Li, Yong Zhou, Yuhan Yang et al. Electrophoretic deposition of graphene-TiO2 hierarchical spheres onto Ti thread for flexible fiber-shaped dye-sensitized solar cells. Materials & Design, 2016, 105, 352.

14. Bo Li, Huitao Fan, Yuhan Yang et al. Halogen bonding in the assembly of silver (I)-ethynide complexes with 1-Iodo-3, 5-bis (prop-2-ynyloxy) benzene. Journal of Cluster Science, 2016, 27, 1171.

15. 杨昱涵; 范会涛; 邱东方; 刘小娣; 赵一阳; 刘珊珊; 仲志国 ; 一种碱性染料废水的净化处理系统, 发明专利, 201611152361.3

16. 杨昱涵; 李亭; 李波; 柳文敏; 于林涛; 桑志培; 马勤阁 ; 一种吡啶哌啶吲哚并环结构的吲哚衍生物及其合成方法, 发明专利, 201610887140.4

合作交流:

1. 美国橡树岭国家实验室、美国佐治亚理工学院 David Sholl 教授课题组。

2. 天津大学姜忠义教授课题组。

学术报告：

1. Predicting impact of framework flexibility on Molecular Diffusion in MOFs. Gordon Research Conference on Machine Learning, Aug 2022, Newry, USA

2. High-throughput prediction of molecular diffusion in flexible metal-organic frameworks. AIChE Annual Meeting, Nov 2021, Boston, USA

3. Impact of Structural Flexibility on Molecular Diffusion in Small Pore MOFs – A Molecular Dynamics Study of Hypothetical ZIF-8 Polymorphs. Gordon Research Conference on Separation, Jan 2020, Galveston, USA