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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 [April 4. 2019] Rational Design of Solid-State Materials with Asymmetric Coordination Environment Prof. Kang Min Ok (Sogang University) Thu. 4 Apr. 2019
57 [March 28. 2019] NMR Structural Studies of engineered novel antimicrobial peptides Prof. Yongae Kim (Hankuk University of Foreign Studies) Thu. 28 Mar. 2019
56 [March 21, 2019] Nanomaterials Design for Energy Conversion and Storage Prof. Jong-Hyuk Park (Yonsei University) Thu. 21 Mar. 2019
55 [March 27, 2019] Hyperpolarization Researches with NV center, 129Xe and Parahydrogen file Prof. Keunhong Jeong March 27, 2019
54 [March 20, 2019] Challenges in molecular dynamics simulations of unfolded proteins and protein-DNA complexes file Dr. Jejoong Yoo March 20, 2019
53 [March 5. 2019] Innovation@Agilent file Dr. Darlene Solomon (Agilent Technologies Inc.) Tuesday. 5 March. 2019
52 [March 5. 2019] Prof. Michael J. Sailor/Treatment of S. aureus Bacterial Infections with Porous Silicon Nanoparticles Prof. Michael J. Sailor (UC San Diego) Tuesday. 5 March. 2019
51 [Thu. 6 Dec. 2018] Prof. Dong-Ho Kim/Department of Chemistry, Yonsei University, Seoul, Korea Prof. Dong-Ho Kim (Yonsei University) Thu. 6 Dec. 2018
50 Fall semester 2018 Seminar Schedule file - -
49 [January 24, 2018] Electro-Optic Organic THz Wave Sources file Prof. O-Pil Kwon(Ajou University) January 24, 2018 (Wednesday)
48 [Thu. 30 Nov. 2017] Prof. Sunmin Ryu/Department of Chemistry, POSTECH, Pohang, South Korea Prof. Sunmin Ryu Thu. 30 Nov. 2017
47 [Thu. 23 Nov. 2017] Prof. Sung-Gon Kim/Department of Chemistry, Kyonggi University, Suwon, Korea Prof. Sung-Gon Kim Thu. 23 Nov. 2017
46 [November 14, 2017] Zero-Point Energy, Fluctuations, and Dissipation : A (Mostly) Quantum-Optical Perspective Prof. Milonni, Peter November 14, 2017
» [Thu. 16 Nov. 2017] Prof. Hyungjun Kim/Department of Chemistry, and Graduate school of Energy, Environment, Water, and Sustainability (EEWS), KAIST, Daejeon, Korea Prof. Hyungjun Kim Thu. 16 Nov. 2017
44 [Fri. 30 Oct. 2017] Prof. Igor Rodin/Department of Chemistry, Moscow State University, Moscow, Russia Prof. Igor Rodin Fri. 30 Oct. 201
43 [October 31, 2017] New ways of vision: Protein structures in translational medicine and business development, my experience file Prof. Robert Huber(1988 Nobel Prize in Chemistry) October 31, 2017
42 [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
41 [October 25, 2017] Ultrafast electron microscopy: applications in chemical and materials sciences Dr. Byung-Kuk Yoo October 25, 2017
40 [Mon. 16 Oct. 2017] Prof. Kirk S. Schanze/Department of Chemistry, University of Texas at San Antonio, Texas, USA Prof. Kirk S. Schanze Mon. 16 Oct. 2017
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