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2017.11.27 10:19

[Thu. 16 Nov. 2017] Prof. Hyungjun Kim/Department of Chemistry, and Graduate school of Energy, Environment, Water, and Sustainability (EEWS), KAIST, Daejeon, Korea

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Speaker Prof. Hyungjun Kim
Date Thu. 16 Nov. 2017
Time 5:00pm
Venue #331, Asan Hall, College of Science

“Multiscale Simulation of the Complex Materials Interface”

 

 

Chemistry at the interface of dissimilar materials and phases of matters is often very exotic compared to the bulk phase chemistry. In particular, solid-liquid interfaces have their own importance due to their ubiquity in a variety of applications, such as heterogeneous catalysts and electrochemical systems for sustainable energy conversion and storage. However, because of their high degree of complexity and difficulty in experimental characterizations, the atomic level of details at the solid-liquid interfaces is barely understood to date, which impedes the further development and optimization of the chemistry at the interface. In such case, theory can be the best option; however, there is no proper simulation method that can describe both phases at the full atomic level in a computationally efficient manner. We thus develop a first-principles based multiscale simulation method to understand, predict, and design the chemistry at the complex materials interface. In this talk, I will discuss our recently developed multiscale simulation method, namely a density functional theory in classical explicit solvents (DFT-CES), and demonstrate how theory and computational simulations can aid understanding the exotic chemistry at the solid-liquid interface, which can suggest a theoretical guideline for developing better materials.


List of Articles
No. Subject Speaker Date
Notice Spring semester 2019 Seminar Schedule file - -
58 Fall semester 2016 Seminar Schedule file - -
57 Spring semester 2017 Seminar Schedule file - -
56 [Fri. 17 Mar. 2017] 9th RINS Symposium file - Fri. 17 Mar. 2017
55 [Thu. 27 Apr. 2017] Seminar was canceled! - -
54 [Wed. 5 July. 2017] Seminar is canceled! - -
53 7th Jilin-Korea-Waseda Alliance Annual Symposium file - August 17 ~ 19, 2017
52 Fall semester 2017 Seminar Schedule file - -
51 Fall semester 2018 Seminar Schedule file - -
50 [October 10, 2017] Novel Terahertz Spectroscopies file Director Mischa Bonn Tue, October 10, 2017
49 [October 25, 2017] Ultrafast electron microscopy: applications in chemical and materials sciences Dr. Byung-Kuk Yoo October 25, 2017
48 [March 5. 2019] Innovation@Agilent file Dr. Darlene Solomon (Agilent Technologies Inc.) Tuesday. 5 March. 2019
47 [Fri. 13 Oct. 2017] Dr. J. Nathan Hohman/The Molecular Foundry, Lawrence Berkeley National Laboratory, California, USA Dr. J. Nathan Hohman Fri. 13 Oct. 2017
46 [March 20, 2019] Challenges in molecular dynamics simulations of unfolded proteins and protein-DNA complexes file Dr. Jejoong Yoo March 20, 2019
45 [Thu. 26 Oct. 2017] Dr. Jung-Nyoung Heo/Center for Medicinal Chemistry Research, Korea Research Institute of Chemical Technology, Daejeon, Korea Dr. Jung-Nyoung Heo Thu. 26 Oct. 2017
44 [Thu. 13 Apr. 2017] Dr. Wan Ki Bae/Photoelectronic Hybrid Research Center, Korea Institute of Science and Technology, Seoul, Korea Dr. Wan Ki Bae Thu. 13 Apr. 2017
43 [Mon. 13 Oct. 2016] Prof. Amir H. Hoveyda/Multicomponent Catalytic Synthesis of Organoboron Compounds for Scalable Natural Product Synthesis Prof. Amir H. Hoveyda Monday 13 October 2016
42 [Thu. 11 May. 2017] Prof. Andreas Heinrich/IBS Research, Center for Quantum Nanoscience, Seoul, South Korea Prof. Andreas Heinrich Thu. 11 May. 2017
41 [Thu. 22 Sep. 2016] Prof. Anna Lee/Organocatalyzed Asymmetric Reactions Prof. Anna Lee Thursday 22 September 2016
40 [Thu. 20 Oct. 2016] Prof. Chan Hyuk Kim/Novel Small Molecule-based Approaches for Cancer Immunotherapy Prof. Chan Hyuk Kim Thursday 20 October 2016
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