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Fundamental and Computational Sciences Directorate

Staff information

Nellie Ciesielski

Data Scientist

PNNL Publications

2025

  • Ciesielski D.K., Y. Li, S. Hu, E. King, J.F. Corbey, and P. Stinis. 2025. "Deep operator network surrogate for phase-field modeling of metal grain growth during solidification." Computational Materials Science 246, no. _:Art. No. 113417. PNNL-SA-198433. doi:10.1016/j.commatsci.2024.113417

2024

  • Nguyen J.H., R.E. Overstreet, E. King, and D.K. Ciesielski. 2024. "Advancing the Prediction of MS/MS Spectra using Machine Learning." Journal of the American Society for Mass Spectrometry 35, no. 10:2256-2266. PNNL-SA-197287. doi:10.1021/jasms.4c00154
  • Overstreet R.E., E. King, G.P. Clopton, J.H. Nguyen, and D.K. Ciesielski. 2024. "QC-GN2oMS2: a Graph Neural Net for High Resolution Mass Spectra Prediction." Journal of Chemical Information and Modeling 64, no. 15:5806-5816. PNNL-SA-195950. doi:10.1021/acs.jcim.4c00446

2023

2022

  • King E., R.E. Overstreet, J.H. Nguyen, and D.K. Ciesielski. 2022. "Augmentation of MS/MS Libraries with Spectral Interpolation for Improved Identification." Journal of Chemical Information and Modeling 62. PNNL-SA-173200. doi:10.1021/acs.jcim.2c00620
  • Wenskovitch J.E., A.A. Anderson, S. Kincic, C. Fallon, D.K. Ciesielski, J.A. Baweja, and M.C. Mersinger, et al. 2022. "Operator Insights and Usability Evaluation of Machine Learning Assistance for Power Grid Contingency Analysis." In Human Factors in Energy: Oil, Gas, Nuclear and Electric Power. AHFE (2022) International Conference., July 24-28, 2022, New York, NY, edited by R. Boring and R. McDonald, 54, 40-48. New York, New York:AHFE International. PNNL-SA-170435. doi:10.54941/ahfe1002219
  • Wenskovitch J.E., B.A. Jefferson, A.A. Anderson, J.A. Baweja, D.K. Ciesielski, and C. Fallon. 2022. "A Methodology for Evaluating Operator Usage of Machine Learning Recommendations for Power Grid Contingency Analysis." Frontiers in Big Data 5. PNNL-SA-171158. doi:10.3389/fdata.2022.897295

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