Data Scientist
Data Scientist

Biography

Natalie Isenberg completed her PhD in chemical engineering at Carnegie Mellon University in 2021. Prior to joining Pacific Northwest National Laboratory, Isenberg was the inaugural Amalie Emmy Noether Postdoctoral Fellow in Applied Mathematics at Brookhaven National Laboratory. 

View Isenberg’s Google Scholar page.

Research Interest

  • Mixed-integer optimization
  • Optimal experimental design
  • Nonlinear optimization
  • Robust optimization
  • Uncertainty quantification
  • Hybrid (gray-box) modeling

Education

  • PhD in chemical engineering, Carnegie Mellon University
  • BS in chemical engineering, University of Pittsburgh

Awards and Recognitions

  • Amalie Emmy Noether Postdoctoral Fellowship in Applied Mathematics, Brookhaven National Laboratory, 2021
  • Rising Stars for Women in Computational and Data Sciences, Sandia National Laboratory, 2021
  • Presidential Fellowship, Department of Chemical Engineering, Carnegie Mellon University, 2020
  • Graduate Student Research Fellowship, U.S. Department of Energy Office of Science, 2019

Publications

2024

  • Isenberg, N. M., S. D. Mertins, B. Yoon, K. Reyes, and N. M. Urban. 2024. “Identifying Bayesian Optimal Experiments for Uncertain Biochemical Pathway Models.” Scientific Reports 14 (1): Art No. 15237. PNNL-SA-198539. https://doi.org/10.1038/s41598-024-65196-w
  • Roussel, R., A. L. Edelen, T. Boltz, D. Kennedy, Z. Zhang, F. Ji, X. Huang, D. Ratner, A. Santamaria, C. Xu, J. Kaiser, A. F. Pousa, A. Eichler, J. O. Lübsen, N. M. Isenberg, Y. Gao, N. Kuklev, J. Martinez, B. Mustapha, V. Kain, C. Mayes, W. Lin, S. M. Liuzzo, J. St. John, M. J. V. Streeter, R. Lehe, and W. Neiswanger. 2024. “Bayesian optimization algorithms for accelerator physics.” Phys. Rev. Accel. Beams 27 (8): 084801. https://doi.org/10.1103/PhysRevAccelBeams.27.084801

2023

  • Mertins, S. D., N. M. Isenberg, K.-R. Reyes, B.-J. Yoon, N. Urban, M. P. Jogalekar, M. E. Diolaiti, M. R. Weil, and E. A. Stahlberg. 2023. “Pharmacodynamic model of PARP1 inhibition and global sensitivity analyses can lead to cancer biomarker discovery.” bioRxiv 2023.02.08.527527. https://doi.org/10.1101/2023.02.08.527527

2021

  • Isenberg, N. M., P. Akula, J. C. Eslick, D. Bhattacharyya, D. C. Miller, and  C. E. Gounaris. 2021. “A generalized cutting-set approach for nonlinear robust optimization in process systems engineering.” AIChE J. 67: e17175. https://doi.org/10.1002/aic.17175 
  • Xiangyu, Y., N. M. Isenberg, C. L. Hanselman, J. R. Dean, G. Mpourmpakis, and C. E. Gounaris. 2021. “Designing stable bimetallic nanoclusters via an iterative two-step optimization approach.” Mol. Syst. Des. Eng. 6: 545–557. https://doi.org/10.1039/D1ME00027F 

2020

  • Isenberg, N. M., M. G. Taylor, Z. Yan, C. L. Hanselman, G. Mpourmpakis, C. E. Gounaris. 2020. “Identification of optimally stable nanocluster geometries via mathematical optimization and density-functional theory.” Mol. Syst. Des. Eng. 5: 232–244. https://doi.org/10.1039/C9ME00108E

2016