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Title

Rational Design of Catalytic and Energy Materials: from Computational Modeling to Experimental Validation

Speaker

Prof. Jeong Woo Han, Department of Chemical Engineering, Pohang University of Science and Technology (POSTECH)

Education

- Jan 2008 - Mar 2010 Georgia Institute of Technology Atlanta, GA

                             Doctor of Philosophy in Chemical and Biomolecular Engineering

                             Advisor: Prof. David S. Sholl

                             Thesis: Density Functional Theory Studies for Separation of Enantiomers of a Chiral Species by Enantiospecific Adsorption on Solid Surfaces

- Aug 2006 - Dec 2007 Carnegie Mellon University Pittsburgh, PA 

                              Master of Science in Chemical Engineering

                              Advisor: Prof. David S. Sholl

                              Thesis: First Principles Studies of Molecular Adsorption on Hydroxylated Quartz(0001)

- Mar 1998 - Aug 2005 Seoul National University Seoul, Korea

                              Bachelor of Science in Chemical and Biological Engineering

Professional Experience

- Feb 2018 - present  Pohang University of Science and Technology (POSTECH)

                            Professor

- Jan 2022 - Present SLAC National Accelerator Laboratory & Stanford University Menlo Park, CA

                           Visiting Professor of SUNCAT Center for Interface Science and Catalysis

- Oct 2018 - Present   Yonsei University

                             Adjunct Professor of Convergence Research and Education in Advanced Technology

- Jan 2020 - Present Member of Young Korean Academy of Science and Technology (Y-KAST) University of Seoul

- Feb 2017 - Present Editor, Molecular Catalysis, Elsevier, B.V.

- Jan 2021 - Present Associate Editor, Korean Journal of Chemical Engineering, Springer

- Apr 2010 - July 2012 Massachusetts Institute of Technology, Department of Nuclear Science and Engineering

                              Postdoctoral Associate working with Prof. Bilge Yildiz

- Aug 2005 - Jul 2006 Korea Institute of Science and Technology (KIST) Seoul, Korea

                             Commissioned Research Scientist working with Dr. Soo Hyun Kim

| Date | Tuesday, August 23rd, 2022

| Time | 10:00 ~ 

| Venue | 온라인 줌 링크 (https://snu-ac-kr.zoom.us/j/97619236084)

            회의 ID: 976 1923 6084

[Abstract]

To elucidate the materials’ mechanism at the atomic and molecular level and predict the activity and stability before trial-and-error based experiments to work out sophisticated material designs, computational approaches are essential. Over the last two decades, the computer-aided materials design has been very successful owing to the prosperous establishment of computational methodologies accompanied with tremendous progress of computing power. Furthermore, machine learning-derived materials design has recently drawn attention, including accelerated materials screening among the vast candidate materials space. Many examples can be found, in which computational screening has played a major role in experimentally finding a new class of catalytic and energy materials, and computational analyses could be successfully explained for the underlying mechanism of materials’ behaviours.

Our focus here is on the discovery of materials with desired properties for a wide range of important applications in catalytic and energy materials. Specific examples using the systematic materials design approaches, such as the materials for fuel cell electrode, automotive catalysis, single atom catalysis, and liquid organic hydrogen carrier, will be discussed in this talk.

| Host | 한승우 교수 (02-880-1541)