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Eunsu Paek

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Eunsu Paek
Assistant Professor

233 CAMP
Clarkson University
PO Box 5705
Potsdam, NY 13699-5705

Phone: 315-268-6621
Fax: 315-268-6654



B.S., M.S., Seoul National University, Korea

Ph.D., University of Texas at Austin

Research Interests

Dr. Paek’s research focuses on developing theoretical foundations for guiding the rational design and synthesis of novel nanomaterials for energy and environmental applications. The Paek research group utilizes molecular-level computer simulations to investigate fundamental properties and processes in various nanomaterials, such as interfacial phenomena, solution dynamics, chemical reactions, and phase transformations. Dr. Paek’s research interests also lie in developing multiscale computational platforms that can incorporate the fundamental knowledge gained to larger scale simulations. Current areas of interest include

  • Modeling of interfacial chemistry and ion transport, defect formation and dynamics, and chemical functionalization in nanostructured materials.
  • Computational design  of novel electrode and electrolyte  materials for next-generation energy storage devices such as supercapacitors and Li-ion batteries
  • Fundamental understanding of reaction mechanisms and new solvent/catalytic materials design for carbon capture and utilization


We are currently looking for graduate students, with training in chemical engineering, materials science, chemistry, or other related areas. We also encourage applications from highly motivated undergraduate students that are committed to research. Interested applicants should contact Dr. Paek by email.

Selected Publications

  • E. Paek, A. J. Pak, and G. S. Hwang, “On the Influence of Polarization Effects in Predicting the Interfacial Structure and Capacitance of Graphene-like Electrodes in Ionic Liquids,” J. Chem. Phys. 142, 024701 (2015).
  • G. S. Hwang, H. M. Stowe, E. Paek, and D. Manogaran, “Reaction Mechanisms of Aqueous Monoethanolamine with Carbon Dioxide: A Combined Quantum Chemical and Molecular Dynamics Study,” Phys. Chem. Chem. Phys. 17, 831-839 (2015)
  • E. Paek, A. J. Pak, and G. S. Hwang, “Large Capacitance Enhancement Induced by Metal-doping in Graphene-based Supercapacitors: A First Principles-based Assessment,” ACS Appl. Mater. Interfaces 6, 12168-12176 (2014).
  • E. Paek, A. J. Pak, and G. S. Hwang, “Curvature Effects on the Interfacial Capacitance of Carbon Nanotubes in an Ionic Liquid,” J. Phys. Chem. C 117, 23539-23546, (2013).
  • E. Paek, A. J. Pak, K. E. Kweon, and G. S. Hwang, “On the Origin of the Enhanced Supercapacitor Performance of Nitrogen-doped Graphene,” J. Phys. Chem. C 117(11), 5610-5616 (2013).
  • E. Paek, A. J. Pak, and G. S. Hwang, “A Computational Study of the Interfacial Structure and Capacitance of Graphene in [BMIM][PF6] Ionic Liquid,” J. Electrochem. Soc. 160(1), A1-A10 (2013).