Research 

Computational Science and Mathematical Modeling Laboratory (CSMML)


My research anchors in the field of applied and computational mathematics involving modeling and computation in a wide range of applications, ranging from soft matter (complex fluids) and complex biological systems to geophysical, life, and materials science. Recently, we have invested heavily in data science ad machine learning, especially, their applications in geophysical and life science. The digital twin is one of the applications in life science. My group has also been conducting research on developing efficient and stable numerical methods for the partial differential equations arising from modeling complex systems.

My research focuses on developing state-of-the-art mathematical and computational models, analysis as well as cutting-edge simulation tools to study the properties of governing systems of partial differential equations to gain a deeper understanding of the fascinating phenomena they describe. My research has been partially supported by grants from various state and federal funding agencies in the past 30 years.

Current Projects: 

1.     Numerical methods for thermodynamically consistent partial differential equations

2.     Fluid Dynamics and rheology of complex fluids, especially, flows of active liquid crystals, liquid crystals, phase transition, yield-stress fluids, pattern formation, and defect dynamics of liquid crystalline polymers.

3.     Non-equilibrium thermodynamics theories for multiphase complex fluids and flows.

4.     Modeling and computation of ion transport in microscale channels.

5.     Modeling and computation of complex biological systems, complex biofluids (biofilms, biogels, liquid-liquid phase separation), and cellular dynamics (cell motility, migration, and fusion).

6.     Application of data science and machine learning in materials and life science

7.     Digital twin for health

Research Laboratory: Computational Science and Mathematical Modeling Laboratory is located in the Sumwalt building on campus (SUM 103).

Computational Facilities: Our research is supported by a state-of-the-art midrange hybrid HPC node in the Hyperion hyper-performance compute cluster maintained by the university Research Computing Institute, which is equipped with state-of-the-art Tesla GPUs. Cuda, C, C++, Fortran, Open ACC compiler are available together with a plethora of software packages ranging from FLUENT, POLYFLOW, COMSOL, GAUSSIAN, Q-CHME, C^2FD (Computational Complex Fluid Dynamics, an in-house software package developed by my group) etc.

Recent Publications (last 5 years, 2018--):

1.Xiaobo Jing and Qi Wang, Thermodynamically Consistent Dynamical Boundary Conditions of Phase Field Models, Communications in Mathematical Sciences, 2022.

2. Lu Guanyu, Liu Wenqiang, HAO Huiqing, Wang Qi, and HAO Yonghong. Application of the combined LSTM-GRU model to hydrological simulations. Journal of Hydrology (Chinese), 2022.

3. Maosheng Jiang, Jia Zhao and Qi Wang. Linear Energy Stable Numerical Schemes for a General Chemo-Repulsive Model. Journal of Computational and Applied Mathematics, 2022.

4. Huiqing Hao; Yonghong Hao; Yan Liu; Yan Jim Yeh; Ming Zhang; Qi Wang; Yonghui Fan. Anomaly of glacier mass balance in different vertical zones and responses to climate modes: Urumqi Glacier No. 1, China Climate Dynamics Climate Dynamics, 2022.

5. Jianguo Hou, Jun Deng, Chunyan Li, and Qi Wang. Tracing and Forecasting Metabolic Indices of Cancer Patients Using Patient-Specific Deep Learning Models. Journal of Personalized Medicine, 12 (2022), 742.

6. Xiehui Song, HuiqingHao, Wenqiang Liu, Qi Wang, Lixing An, Tian-Chyi Jim Yeh, Yonghong Hao. Spatial-temporal behavior of precipitation driving karst spring discharge in a mountain terrain. Journal of Hydrology 612 (2022), 128116.

7. Chunyan Li, Shehani T. Wetthasinghe, Huina Lin, Tianyu Zhu, Chuanbing Tang, Vitaly Rassolov, Qi Wang, Sophya Garashchuk. Stability analysis of substituted cobaltocenium [bis(cyclopentadienyl)cobalt(III)] employing chemistry-informed neural networks. Journal of Chemical Theory and Computation, April 11, 2022, https://doi.org/10.1021/acs.jctc.1c01201.

8. Shehani T. Wetthasinghe, Chunyan Li, Huina Lin, Tianyu Zhu, Chuanbing Tang, Vitaly Rassolov, Qi Wang, Sophya Garashchuk. Investigating stability of substituted cobaltocenium using deep neural networ Correlation between the Stability of Substituted Cobaltocenium and Molecular Descriptorsks. Journal of Physical Chemistry A, 126(1) (2022), 80-87.

9. Hong-Fei Deng, Ming-Wei Sun,Yu Wang, Jun Zeng, Ting Yuan, Ting Li, Di-Huan Li, Wei Chen, Ping Zhou, Qi Wang, Hua Jiang. Evaluating Machine Learning Moldes for Sepsis Prediction: A Systematic Review of Methodologies, iScience, in press, 2022.

10. Xiaowen Shen and Qi Wang. Thermodynamically Consistent Models for Diblock Copolymer Systems Coupled with an Electric Field. Chinese Phys. B, 31(4), 2022.

11. Lin Lu, Qi Wang, Yongzhong Song and Yushun Wang, Local structure-preserving algorithms for phase field models of graphene growth. Journal of Scientific Computing, 90(1) ( 2022).

12. Xin Guo, Xu-sheng Wang, Jun Li, Tongke Wang, Zhixue Zhao, Huiqing Hao, Hongbin Zhan, Qi Wang, Yonghong Hao. An approximate analytical solution of depth to water table driven by periodical precipitation and evapotranspiration in shallow groundwater zones. Advances in Water Resources, 155 (2021), 104012.

13. Qi Hong, Yuezheng Gong, Jia Zhao and Qi Wang, Arbitrarily High Order Structure-Preserving Algorithms for the Allen-Cahn Model with a Nonlocal Constraint. Applied Numerical Mathematics, Volume 170, December 2021, 321-339.

14. Yakun Li, Wenkai Yu, Jia Zhao, and Qi Wang. Second Order Decoupled Energy Dissipation Rate Preserving Schemes for an extended Cahn-Hilliard-Darcy Model. Journal of Computational Physics, Volume 444, 1 November 2021, 110561.

15. Wenkai Yu, Jia Zhao, Yakun Li and Qi Wang. Second-Order Linear Thermodynamically Consistent Approximations to the Nonlocal Allen-Cahn-Brinkman Model. Computer Methods in Applied Mechanics and Engineering, Volume 386, 1 December 2021.

16. Xiaowen Shen and Qi Wang, Thermodynamically Consistent Numerical Algorithms for Models of Diblock Copolymer Solutions with Variable Mobility, Journal of Computational and Applied Mathematics, Volume 395, 15 October 2021, 113573.

17. Xiaowen Shen and Qi Wang, Thermodynamically Consistent Algorithms for Models of Block Copolymer Solutions Interacting with Electric and Magnetic Fields, Journal of Scientific Computing, 88, 43 (2021).

18. Yuezheng Gong, Qi Hong and Qi Wang, Supplementary Variable Method for Thermodynamically Consistent Partial Differential Equations. Computer Methods in Applied Mechanics and Engineering, 2021, 381, 113746.

19. Di Wang, Yongyong Cai and Qi Wang, Central Vortex Steady States and Dynamics of Bose-Einstein Condensates Interacting with Magnetic Fields. Physica D, Volume 419, May 2021, 132852.

20. Lin Lu, Qi Wang, Yongzhong Song, Yushun Wang, Local structure-preserving algorithms for the molecular beam epitaxy model with slope selection. Discrete and Continuous Dynamical System-B, September  2021, 26(9): 4745-4765. doi: 10.3934/dcdsb.2020311

21. Qi Hong, Jia Zhao and Qi Wang, Structure-preserving Numerical Approximations to Network Generating Partial Differential Equation Models, Computers and Mathematics with Applications, 81 (2021), 148-165.

22. Qi Hong, Jun Li and Qi Wang, Supplementary Variable Method for Structure-Preserving Approximations to Partial Differential Equations with Deduced Equations. Applied Mathematics Letter, 110 ( 2020), 106576.

23. Cheng Lei, Yu Wang, Jia Zhao, Kexun Li, Hua Jiang and Qi Wang. A Patient-Specific Predictive Model for Human Albumin Based on Deep Neural Networks. Computer Methods and Programs in Biomedicine, 196 (2020), 105555.

24.Shouwen Sun, Jun Li, Jia Zhao, and Qi Wang, Structure-Preserving Numerical Approximations to Thermodynamically Consistent Non-isothermal Models of Binary Viscous Fluid Flows. Journal of Scientific Computing, 83 (2020), 50.

25. Yuezheng Gong, Jia Zhao and Qi Wang. Arbitrarily high-order linear unconditionally energy stable schemes for gradient ow models. Journal of Computational Physics, 419 (2020), 109610.

26. Yuezheng Gong, Jia Zhao, Qi Wang, Arbitrarily high-order unconditionally energy stable SAV schemes for gradient flow models. Computer Physics Communications, 249 (2020), 107033.

27. Xueping Zhao, Tiezheng Qian and Qi Wang, Thermodynamically Consistent Hydrodynamic Models of Multi-component Fluid Flows, Communications in Mathematical Sciences, Vol. 18, No. 5 (2020), 1441-1468.

28. Xiaobo Jing and Qi Wang, Linear Second-Order Energy Stable Schemes of Phase Field Models with Nonlocal Constraints for Crystal Growth. Computers & Mathematics with Applications, 79(3) (2020), 764-788.

29. Yuezheng Gong and Qi Wang and Jia Zhao. Arbitrarily High-Order Unconditionally Energy Stable Schemes for Thermodynamically Consistent Gradient Flow Models. Siam Journal on Scientific Computing. 42(1) (2020), B135-B156.

30. Yucan Zhao, Jun Li, Jia Zhao and Qi Wang, A Linear Energy and Entropy-production-rate Preserving Scheme for Thermodynamically Consistent Crystal Growth Models. Applied Mathematics Letters, 98, (2019), pp. 142-147.

31. Xueping Zhao and Qi Wang. A Second-Order Fully-discrete Linear Unconditionally Energy Stable Numerical Scheme for Phase Field Models of Binary Compressible Fluid Flows. Journal of Computational Physics, 395 (2019), 382-409.

32.Xiaobo Jing, Jun Li, Xueping Zhao and Qi Wang. Second Order Linear Energy Stable Schemes for Allen-Cahn Equations with Nonlocal Constraints. Journal of Scientific Computing, 80 (1) (2019), 500-537.

33.Jun Li, Jia Zhao and Qi Wang. Structure Preserving Numerical Approximations of Thermodynamically Consistent Crystal Growth Models. Journal of Computational Physics, 382 (2019), pp. 202-220.

34. Xiaobo Jing, Xiangya Huang, Markus Haapasalo, Ya Shen and Qi Wang, Modeling Oral Multispecies Biofilm Recovery after Antibacterial Treatment, Scientific Reports. 9 (2019), pp. 804.

35. Shouwen Sun, Xiaobo Jing and Qi Wang, Error Estimates of Energy Stable Numerical Schemes for Allen-Cahn Equations with Nonlocal Constraints. Journal of Scientific Computing, Volume 79(1) (2019), pp 593-623.

36. Xiaogang Yang, Jun Li, Yuezheng Gong, Robert S. Eisenberg, Qi Wang, Quasi-compressible Ionic Fluid Models, Journal of Molecular Liquids, 273 (2019), pp. 677-691.

37. Yuezheng gong, Jia Zhao, and Qi Wang, Second Order Fully-Discrete Energy Stable Methods on Staggered Grids for Hydrodynamic Phase Field Models of Binary Viscous Fluids, Siam Journal on Scientific Computing, 40:2, (2018), pp. B528-B553.

38. Jia Zhao, Xiaofeng Yang, Yuezheng Gong, Xueping Zhao, Jun Li, Xiaogang Yang and Qi Wang, A General Strategy for Numerical Approximations of Thermodynamically Consistent Nonequilibrium Models--Part I: Thermodynamical Systems, International Journal of Numerical Analysis and Modeling, 15(16) (2018), pp 884-918.

39.Xiaogang Yang, Yuezheng Gong, Jun Li, Jia Zhao, and Qi Wang, Comparison of Hydrodynamic Phase Field Models for Binary Fluid Mixtures, Theoretical and Computational Fluid Dynamics, 32(5) (2018), pp 537-560.

40. Yuezheng Gong, Jia Zhao, and Qi Wang, Linear Second Order in Time Energy Stable Schemes for Hydrodynamic Models of Binary Mixtures Based on a Spatially Pseudospectral Approximationadvances in Computational Mathematics, 44 (5) (2018), pp.1573-1600.

41.Yuezheng Gong, Jia Zhao, Xiaogang Yang and Qi Wang, Second-order Linear Schemes for Hydrodynamic Phase Field Models of Binary Viscous Fluids with Variable Densities, Siam Journal on Scientific Computing, 40-1 (2018), pp. B138-B167.