Skip to Main Content U.S. Department of Energy
Fundamental and Computational Sciences Directorate

Staff information

Xiu Yang

Computational Mathematics
Pacific Northwest National Laboratory
PO Box 999
MSIN: K7-90
Richland, WA 99352

PNNL Publications


  • Yang X., H. Lei, P. Gao, D.G. Thomas, D.L. Mobley, and N.A. Baker. 2018. "Atomic radius and charge parameter uncertainty in biomolecular solvation energy calculations." Journal of Chemical Theory and Computation 14, no. 2:759-767. PNNL-SA-126404. doi:10.1021/acs.jctc.7b00905


  • Lei H., X. Yang, Z. Li, G.E. Karniadakis, and G.E. Karniadakis. 2017. "Systematic parameter inference in stochastic mesoscopic modeling." Journal of Computational Physics 330. PNNL-SA-120733. doi:10.1016/
  • Pan W., X. Yang, J. Bao, and M. Wang. 2017. "Optimizing Discharge Capacity of Li-O2 Batteries by Design of Air-electrode Porous Structure: Multifidelity Modeling and Optimization." Journal of the Electrochemical Society 164, no. 11:E3499-E3511. PNNL-SA-123847. doi:10.1149/2.0511711jes


  • Li Z., X. Bian, X. Yang, G.E. Karniadakis, and G.E. Karniadakis. 2016. "A comparative study of coarse-graining methods for polymeric fluids: Mori-Zwanzig vs. Iterative Boltzmann Inversion vs. Stochastic Parametric Optimization." Journal of Chemical Physics 145, no. 4:044102. PNNL-SA-116567. doi:10.1063/1.4959121
  • Yang X., H. Lei, N.A. Baker, and G. Lin. 2016. "Enhancing Sparsity of Hermite Polynomial Expansions by Iterative Rotations." Journal of Computational Physics 307. PNNL-SA-110981. doi:10.1016/
  • Zhang Z., X. Yang, and G. Lin. 2016. "POD-based Constrained Sensor Placement and Field Reconstruction from Noisy Wind Measurements." Mathematics 4, no. 2:26. PNNL-SA-114546. doi:10.3390/math4020026


  • Cho H., X. Yang, D. Venturi, G.E. Karniadakis, and G.E. Karniadakis. 2015. "Algorithms for propagating uncertainty across heterogeneous domains." SIAM Journal on Scientific Computing 37, no. 6:A3030-A305A. PNNL-SA-111664. doi:10.1137/140992060
  • Lei H., X. Yang, B. Zheng, and N.A. Baker. 2015. "Constructing Surrogate Models of Complex Systems with Enhanced Sparsity: Quantifying the influence of conformational uncertainty in biomolecular solvation." Multiscale Modeling & Simulation 13, no. 4:1327-1353. PNNL-SA-104506. doi:10.1137/140981587
  • Zhang Z., X. Yang, I. Oseledets, G.E. Karniadakis, G.E. Karniadakis, and L. Daniel. 2015. "Enabling High-Dimensional Hierarchical Uncertainty Quantification by ANOVA and Tensor-Train Decomposition." IEEE Transactions on Computer-Aided Design of Integrated Circuits and Systems 34, no. 1:63-76. PNNL-SA-109438. doi:10.1109/TCAD.2014.2369505

Science at PNNL

Core Research Areas

User Facilities

Centers & Institutes

Research Highlights

View All Research Highlights & Staff Accomplishments

RSS Feed