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Fundamental and Computational Sciences Directorate

Staff information

Peiyuan Gao

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

PNNL Publications


  • Lei H., J. Li, P. Gao, P. Stinis, and N.A. Baker. 2019. "A data-driven framework for sparsity-enhanced surrogates with arbitrary mutually dependent randomness." Computer Methods in Applied Mechanics and Engineering 350. PNNL-SA-134010. doi:10.1016/j.cma.2019.03.014


  • Luo S., Q. Zhang, L. Zhu, H. Lin, B. Kazanowska, C. Doherty, and A. Hill, et al. 2018. "Highly Selective and Permeable Microporous Polymer Membranes for Hydrogen Purification and CO2 Removal from Natural Gas." Chemistry of Materials 30, no. 15:5322-5332. PNNL-SA-136550. doi:10.1021/acs.chemmater.8b02102
  • wang x., P. Gao, Y. Yang, H. Guo, and D. Wu. 2018. "Dynamic and programmable morphology and size evolution via a living hierarchical self-assembly strategy." Nature Communications 9. PNNL-SA-136487. doi:10.1038/s41467-018-05142-3
  • 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

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