Hwang, Gyeong S. Ph.D.

Professor and Lyondell Chemical Company Endowed Faculty Fellow in Engineering

photo of Gyeong S. Hwang
Office: CPE 4.404 Mailing Address:
Phone: (512) 471-4847 The University of Texas at Austin
Fax: McKetta Department of Chemical Engineering
Email: gshwang@che.utexas.edu 200 E Dean Keeton St. Stop C0400
UT Mail: C0400 Austin, TX 78712-1589

Research Areas: Advanced Materials, Polymers & Nanotechnology, Energy and Modeling & Simulation

Research Group Website

Presentation for Prospective Graduate Students

Educational qualifications

Ph.D., Chemical Engineering, California Institute of Technology (1999)
M.S., Applied Physics, California Institute of Technology (1998)
M.S., Chemical Engineering, Seoul National University (1993)
B.S., Chemical Engineering, Seoul National University (1991)

F.M. Becket Fellow of The Electrochemical Society, Theory Department (Prof. M. Parrinello)
Max-Planck-Institute for Solid State Research, Stuttgart, Germany (1999)
Postdoctoral Fellow, Materials & Process Simulation Center (Prof. W.A. Goddard III)
California Institute of Technology (2000-2001)


First principles-based multiscale modeling, synthesis-structure-property relationship of nanostructured materials, surface and interface chemistry, defect and dopant structure and dynamics, semiconductor processing, fuel cells, electrochemical energy storage.

Research [Computational Nanoengineering Laboratory]

My research has a well-balanced emphasis on fundamentals and applications.  Using first principles-based atomistic modeling my research group focuses on developing a better understanding of (1) surface chemical reactions and dynamics, (2) solid-solid and solid-fluid interfacial interactions, and (3) defect nature and formation as well as their role in controlled chemical doping. By incorporating the fundamental knowledge and understanding into larger scale simulations, my research group also attempts to solve engineering problems encountered in the fabrication of nanoscale electronic, chemical and biological devices.

The primary goal of my research lies in developing (1) strategies for predictive multiscale, multiphysics computational models which can be utilized to guide the rational design and fabrication of next generation nanoscale devices and (2) a detailed understanding of the relationship between the synthesis, structure, and properties of nanostructured materials and systems.

Our current research concerns developing new theoretical foundations for:

  • Controlled synthesis and structure of oxide-embedded semiconductor and metal nanocrystals and nanowires for future electronic and optoelectronic devices;
  • Rational design and synthesis of new high performance nanocatalysts based on less expensive non-precious metals;
  • Atomic-level control of surface chemistry and electrical properties of semiconductor and oxide nanomaterials through impurity doping as well as strain and defect engineering;
  • Electrochemical and plasma-assisted nanopatterning of semiconductor and metal surfaces; and
  • Realization of electrochemical double layer capacitors, also known as supercapacitors, as energy storage devices for next-generation electronics.

Honors & Awards

Lyondell Chemical Company Endowed Faculty Fellowship in Engineering, UT-Austin (2007-present)
NSF Career Award, National Science Foundation (2005)
Myron L. Begeman Fellowship in Engineering, UT-Austin (2005-2007)
F.M. Becket Memorial Award, Electrochemical Society (1999)
Colin Garfield Fink Fellowship, Electrochemical Society (1998)
Graduate Research Award, American Vacuum Society (1997)
Constantin G. Economou Memorial Lecture and Prize, California Institute of Technology (1996)
Il-Ju Academic Foundation Overseas Graduate Fellowship, Korea (1994-1999)
Graduation Award for Top Undergraduate Students, Seoul National University (1991)
Silver Prize, National Competition in Transport Phenomena, Korean Institute of Chemical Engineers (1990)
Han-Hwa Foundation Undergraduate Fellowship, Korea (1989-1991)
Top-honors Scholarship, Seoul National University (1988)
Prize, National Students’ Scientific Invention Contest, Korea (1983)

Selected Publications

  • C.-L. Kuo and G.S. Hwang, “Strain-induced Formation of Surface Defects in Amorphous Silica: A Theoretical Prediction,” Phys. Rev. Lett. 100, 76104 (2008).
  • S. Lee and G.S. Hwang, “Growth and Shape Transition of Small Silicon Self-Interstitial Clusters,” Phys. Rev. B 78, 045204 (2008).
  • S.H. Lee and G.S. Hwang, “Structure, energetics and bonding of amorphous Au-Si alloys,” J. Chem. Phys 127, 224710
  • D. Yu, S. Lee, and G.S. Hwang, “On the Origin of Si Nanocrystal Formation in a Si Suboxide Matrix,“ J. Appl. Phys. 102, 84309 (2007).
  • J. Kenney and G.S. Hwang, “Prediction of stochastic behavior in differential charging of nanopatterned dielectric surfaces during plasma processing,” J. Appl. Phys. 101, 44307 (2007).
  • C.-L. Kuo and G.S. Hwang, “Structure and Interconversion of Oxygen Vacancy Related Defects on Amorphous Silica,“ Phys. Rev. Lett. 97, 66101 (2006).
  • D. Pillay, Y. Wang, and G.S. Hwang, “Prediction of Tetraoxygen Formation on Rutile TiO2(110),“ J. Am. Chem. Soc. 128, 14000 (2006).
  • S. Harrison, T. Edgar, and G.S. Hwang, “Prediction of Anomalous Fluorine-Silicon Interstitial Pair Diffusion in Crystalline Silicon,“ Phys. Rev. B-rapid communication 74, 121201 (2006).
  • D. Pillay and G. S. Hwang, “Growth and Structure of Small Au particles on TiO2(110) Rutile,” Phys. Rev. B 72, 205422 (2005).
  • S. Harrison, T. Edgar, and G. S. Hwang, “Structure, Stability, and Diffusion of Arsenic-Silicon Interstitial Pairs,” Appl. Phys. Lett. 87, 231905 (2005).
  • Y. Wang and G. S. Hwang, “Origin of Non-local Interactions in Adsorption of Polar Molecules on Si(001)-2´1,” J. Chem. Phys. 122, 164706 (2005).
  • T. Kirichenko, D. Yu, S. Banerjee, and G. S. Hwang, “Silicon interstitials at Si/SiO2 interfaces: Density functional calculations,” Phys. Rev. B 72, 35345 (2005).
  • J. Kenney, W. Shin and G. S. Hwang, “Two-dimensional Computational Model for Electrochemical Micromachining with Ultrashort Voltage Pulses,” Appl. Phys. Lett. 84, 3774 (2004).
  • Y. Wang and G. S. Hwang, “Adsorption of Au atoms on stoichiometric and reduced TiO2(110) rutile surfaces: a first principles study,” Surf. Sci. 542, 72 (2003).