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Szu-Chia Chien, Associate Professor

Szu-Chia Chien - Associate Professor
簡思佳 副教授
2015 Ph.D. in Chemical Engineering, University of Massachusetts Amherst
2015-2016 Research Associate, Massachusetts Institute of Technology (MIT)
2016-2021 Research Associate, The Ohio State University
Ext.: 34219
Office: Engineering Building 1, E304B
Research Office: Engineering Building 1, E215
Lab: Computational Materials Laboratory
Email: scchien@ncu.edu.tw
Professor Szu-Chia Chien Photo

Research Interests

Porous materials, Corrosion-resistant metallic materials, 2D materials, Density Functional Theory (DFT), Molecular simulation, and Machine learning methods.

The main research direction of this laboratory is to use various theoretical calculation methods (including Monte Carlo methods, molecular dynamics, and quantum chemistry) and machine learning methods to explore problems in materials science, such as simulating material synthesis mechanisms, calculating material properties, and designing new materials:
1. Utilizing Density Functional Theory (DFT) to calculate material properties (including 2D materials, metals, metal oxides, and porous materials).
2. Using molecular simulations (Monte Carlo methods and Molecular Dynamics) to study the synthesis mechanisms and properties of porous materials.
3. Employing machine learning methods to establish predictive models for determining key factors in the corrosion resistance of alloys.
4. Developing bond energy models and applying them to corrosion-resistant alloys and alloy oxides.

Publications

  1. X. Guo, H.-L. Huang, M. Zhu, K. Hariharan, S.-C. Chien, N. Huynh, J. Hwang, W. Windl, C. D. Taylor, E. J. Schindelholz, G. S. Frankel, "Interstitial elements created via metal 3D printing", Mater. Today, 66, 92104 (2023)
  2.  Q. Liu, S. G. Cho, J. Hilliard, T.‐Y. Wang, S.‐C. Chien, L.‐C. Lin, A. C. Co, C. R. Wade, "Inverse CO2/C2H2 Separation with MFU‐4 and Selectivity Reversal via Postsynthetic Ligand Exchange", Angew. Chem., 135, e202218854 (2023)
  3.  W. Windl, S.-C. Chien, "Free‐Energy Parameterization and Thermodynamics in Si‐Ge‐Sn Alloys", Phys. Status Solidi (b), 259, 2100590 (2022) 
  4. T. Li, S.-C. Chien, Z. Ren, W. Windl, F. Ernst and G. S. Frankel, "Understanding the Efficacy of Concentrated Interstitial Carbon in Enhancing the Pitting Corrosion Resistance of Stainless Steel." Acta Mater., 221, 117433 (2021)
  5. C. Nyby, X. Guo, J. Saal, S.-C. Chien, A. Y. Gerard, H. Ke, T. Li, P. Lu, C. Oberdorfer, S. Sahu, C. D. Taylor, W. Windl, J. R. Scully and G. S. Frankel, “Electrochemical Metrics for Corrosion Resistant Alloys ”, Sci. Data, 8, 58 (2021)
  6. S.-C. Chien and W Windl, “Bond Synergy Model for Bond Energies in Alloy Oxides”, J. Electrochem. Soc., just accepted (2020)
  7. T. J. Asel, W. L. B. Huey, B. Noesges, E. Molotokaite, S.-C. Chien, Y. Wang, A. Barnum, C. McPherson, S. Jiang, S. Shields, C. D’Andrea, W. Windl, E. Cinquanta, L. J. Brillson and J. E. Goldberger, “Influence of Surface Chemistry on Water Absorption in Functionalized Germanane”, Chem. Mater., 4, 1537-1544 (2020)
  8. J. S. Jamison, B. J. May, J. I. Deitz, S.-C. Chien, D. W. McComb, T. J. Grassman, W. Windl, and R. C. Myers, “Ferromagnetic Epitaxial μ-Fe2O3 on β-Ga2O3: A New Monoclinic form of Fe2O3”, Crystal Growth & Design, 19, 4205-4211 (2019)
  9. Y. Yu, S.-C. Chien, J. Sun, E. Hettiaratchy, R. Myers, L.-C. Lin, and Y. Wu “Excimer-Mediated Intermolecular Charge Transfer in Self-Assembled Donor-Acceptor Dyes on Metal Oxides”, J. Am. Chem. Soc., 141, 8727−8731 (2019)
  10. (*Contributed equally) Y. Yu*, K. A. Click*, S.-C. Chien*, J. Sun, A. Curtze, L.-C. Lin, and Y. Wu “Decoupling pH-Dependence of Flat-Band Potential in Aqueous Dye-Sensitized Electrodes”, J. Phys. Chem. C, 123 (14), 8681-8687 (2019)
  11. T. M. Mohona, A. Gupta, A. Masud, S.-C. Chien, L.-C. Lin, P. C. Nalam, and N. Aich “Aggregation Behavior of Inorganic 2D Nanomaterials Beyond Graphene: Insights from Molecular Simulations and Modified DLVO Theory”, Environ. Sci. Technol., 53 (8), 4161-4172 (2019)
  12. C. E. Bien, K. K. Chen, S.-C. Chien, B. R. Reiner, L.-C. Lin, C. R. Wade, W. S. W. Ho, “A Bioinspired Metal-Organic Framework for Trace CO2 Capture”, J. Am. Chem. Soc., 140, 12662-12666 (2018)
  13. S.-C. Chien, G. Pérez-Sánchez, J. R. B. Gomes, M. N. D. S. Cordeiro, M. Jorge, S. M. Auerbach and P. A. Monson, “Molecular Simulations of the Synthesis of Periodic Mesoporous Silica Phases at High Surfactant Concentrations”, J. Phys. Chem. C, 121, 4564-4575 (2017)
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