Kat Nykiel

Employment

Employment history is unavailable.

Education

• Purdue University West Lafayette PhD Materials Engineering (in progress)
  2021 - 2025
• The Ohio State University BS Materials Science, Applied Physics
  2017 - 2021

Projects & Funding

Projects & funding information is unavailable.

Publications (5)

• Discovery of new high-pressure phases – integrating high-throughput DFT simulations, graph neural networks, and active learning
  npj Computational Materials 2025 DOI: 10.1038/s41524-025-01682-7
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• Thermodynamic fidelity of generative models for Ising system
  Journal of Applied Physics 2025 DOI: 10.1063/5.0251876
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• How accurate is density functional theory at high pressures?
  Computational Materials Science 2025 DOI: 10.1016/j.commatsci.2024.113458
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• High-throughput density functional theory screening of double transition metal MXene precursors
  Scientific Data 2023 DOI: 10.1038/s41597-023-02755-2
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• Design of Atomic Ordering in Mo2Nb2C3Tx MXenes for Hydrogen Evolution Electrocatalysis
  Brian C. Wyatt, Anupma Thakur, Kat Nykiel +6 more
  Nano Letters 2023 DOI: 10.1021/acs.nanolett.2c04287
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