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