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. 永利集团科研启动基金，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, https://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